CAS 631918-72-4 4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid

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4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid

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Catalog Number

ACM631918724-2

Product Name

4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid

Structure

CAS

631918-72-4

Category

Carbon Nanomaterials

Synonyms

C60-SAM

Description

4-(1',5'-Dihydro-1'-methyl-2'H-[5,6]fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl)benzoic acid (C60-SAM) is a fullerene based self-assembled monolayer that can be used to functionalize the oxide surface for the formation electron selective layer (ECL). It can act as a good electron donor with a high electron affinity. It enhances the overall efficiency of perovskite solar cells (PSCs) by reducing the hysteresis.

Molecular Weight

897.84 g/mol

Molecular Formula

C70H11NO2

Canonical SMILES

CN1CC23C4=C5C6=C7C4=C8C9=C4C%10=C%11C%12=C%13C%10=C%10C9=C7C7=C%10C9=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C7C6=C%15C6=C%16C7=C%18C%10=C(C2(C1C1=CC=C(C=C1)C(=O)O)C7=C65)C1=C2C(=C4C8=C31)C%11=C%12C2=C%17%10)C%14=C%139

InChI

InChI=1S/C70H11NO2/c1-71-6-69-63-56-49-37-29-20-11-9-10-12-15(11)24-31(29)39-40-32(24)30-21(12)23-19-14(10)17-16-13(9)18-22(20)35(37)43-41-27(18)25(16)33-34-26(17)28(19)42-44-36(23)38(30)50-52(40)61(60(63)51(39)49)65-58(50)55(44)59-48(42)46(34)53-45(33)47(41)57(54(43)56)64(69)62(53)66(59)70(65,69)67(71)7-2-4-8(5-3-7)68(72)73/h2-5,67H,6H2,1H3,(H,72,73)

InChI Key

NUFJNRMCYBYCAM-UHFFFAOYSA-N

Flash Point

Not applicable

Application

Fullerene-based self-assembled monolayers for use in organic electronic devices such as inverted polymer solar cells and perovskite−polymer hybrid solar cells.

Storage

room temp

Complexity

4430

Covalently-Bonded Unit Count

Exact Mass

897.078979g/mol

Form

Powder

Formal Charge

Heavy Atom Count

Monoisotopic Mass