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Catalog Number
ACM1801701585-1
Product Name
V886
CAS
1801701-58-5
Category
Perovskite Solar Cell (PSC) Materials
Synonyms
9,9'-[1,2-Phenylenebis(methylene)]bis[N3,N3,N6,N6-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine]
IUPAC Name
9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
Molecular Weight
1345.61
Molecular Formula
C88H76N6O8
Canonical SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)CC8=CC=CC=C8CN9C1=C(C=C(C=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C1=C9C=CC(=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
InChI
InChI=1S/C88H76N6O8/c1-95-73-33-13-61(14-34-73)91(62-15-35-74(96-2)36-16-62)69-29-49-85-81(53-69)82-54-70(92(63-17-37-75(97-3)38-18-63)64-19-39-76(98-4)40-20-64)30-50-86(82)89(85)57-59-11-9-10-12-60(59)58-90-87-51-31-71(93(65-21-41-77(99-5)42-22-65)66-23-43-78(100-6)44-24-66)55-83(87)84-56-72(32-52-88(84)90)94(67-25-45-79(101-7)46-26-67)68-27-47-80(102-8)48-28-68/h9-56H,57-58H2,1-8H3
InChI Key
UJFCAZNSGCEREK-UHFFFAOYSA-N
Purity
>98.0%HPLC
Appearance
White to Light yellow to Green powder to crystal
Storage
Store under inert gas
Complexity
2040
Covalently-Bonded Unit Count
1
Exact Mass
1344.572463g/mol
Formal Charge
0
Heavy Atom Count
102
Monoisotopic Mass
1344.572463g/mol
Rotatable Bond Count
24
XLogP3
20.7
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