1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene

C42H32 — CID 162098364

IUPAC1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18.C18H14/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-18H;1-14H
InChIKeyZENYQSAABWYIBL-UHFFFAOYSA-N
MW536.72 g/mol
LogP11.71
Rot. Bonds5

About 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene

1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene (PubChem CID 162098364) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
PubChem CID162098364
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18.C18H14/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-18H;1-14H
InChIKeyZENYQSAABWYIBL-UHFFFAOYSA-N
XLogP11.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;tris(1,1'-biphenyl)
CID 162155747
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;hydroiodide
CID 66586334
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
CID 53446764
CID 53446764
CID 162140615
CID 162140615
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene?
The IUPAC name of 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene (CID 162098364) is 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene.
What is the SMILES notation for 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene?
The canonical SMILES for 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene is c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene?
The InChIKey is ZENYQSAABWYIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.C18H14/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-18H;1-14H.
What are the key properties of 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene?
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene has a molecular weight of 536.72 g/mol, XLogP of 11.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene is sourced from PubChem (CID 162098364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).