NAVIGATION


Hexaphenylbenzene

Catalog Number
ACM992041-1
CAS Number
992-04-1
Product Name
Hexaphenylbenzene
Structure
Category
Small Molecule Semiconductor Building Blocks; Carbon Nanomaterials; Dendrimer Building Blocks
IUPAC Name
1,2,3,4,5,6-hexakis-phenylbenzene
Molecular Weight
534.7g/mol
Molecular Formula
C42H30
Canonical SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H
InChI Key
QBHWPVJPWQGYDS-UHFFFAOYSA-N
Complexity
579
Covalently-Bonded Unit Count
1
EC Number
213-591-7
Exact Mass
534.234751g/mol
Formal Charge
0
Heavy Atom Count
42
Monoisotopic Mass
534.234751g/mol
NSC Number
220313
Rotatable Bond Count
6
XLogP3
11.7
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