1-benzyl-2,4,5-triphenylbenzene

C31H24 — CID 143291526

IUPAC1-benzyl-2,4,5-triphenylbenzene
SMILESc1ccc(Cc2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H24/c1-5-13-24(14-6-1)21-28-22-30(26-17-9-3-10-18-26)31(27-19-11-4-12-20-27)23-29(28)25-15-7-2-8-16-25/h1-20,22-23H,21H2
InChIKeyKGOLDCUCNIRFHC-UHFFFAOYSA-N
MW396.53 g/mol
LogP8.28
Rot. Bonds5

About 1-benzyl-2,4,5-triphenylbenzene

1-benzyl-2,4,5-triphenylbenzene (PubChem CID 143291526) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-benzyl-2,4,5-triphenylbenzene.

Molecular Properties

Compound Name1-benzyl-2,4,5-triphenylbenzene
PubChem CID143291526
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name1-benzyl-2,4,5-triphenylbenzene
SMILESc1ccc(Cc2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H24/c1-5-13-24(14-6-1)21-28-22-30(26-17-9-3-10-18-26)31(27-19-11-4-12-20-27)23-29(28)25-15-7-2-8-16-25/h1-20,22-23H,21H2
InChIKeyKGOLDCUCNIRFHC-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-benzyl-2,5,6-triphenylpyridine
CID 102424819
2-benzyl-5-phenylbenzene-1,4-diamine
CID 141053780
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
phenyl(113C)methylbenzene
CID 11194569
2,4-dibenzyl-6-(4-benzylphenyl)phenol
CID 170848286
4-benzyl-2-phenylbenzenethiol
CID 139607533
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
1,4-bis(3-benzylphenyl)benzene
CID 175442136
2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158668516
4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
CID 19607190

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4,5-triphenylbenzene?
The IUPAC name of 1-benzyl-2,4,5-triphenylbenzene (CID 143291526) is 1-benzyl-2,4,5-triphenylbenzene.
What is the SMILES notation for 1-benzyl-2,4,5-triphenylbenzene?
The canonical SMILES for 1-benzyl-2,4,5-triphenylbenzene is c1ccc(Cc2cc(-c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2,4,5-triphenylbenzene?
The InChIKey is KGOLDCUCNIRFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-5-13-24(14-6-1)21-28-22-30(26-17-9-3-10-18-26)31(27-19-11-4-12-20-27)23-29(28)25-15-7-2-8-16-25/h1-20,22-23H,21H2.
What are the key properties of 1-benzyl-2,4,5-triphenylbenzene?
1-benzyl-2,4,5-triphenylbenzene has a molecular weight of 396.53 g/mol, XLogP of 8.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4,5-triphenylbenzene is sourced from PubChem (CID 143291526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).