1,4-bis(3-benzylphenyl)benzene

C32H26 — CID 175442136

IUPAC1,4-bis(3-benzylphenyl)benzene
SMILESc1ccc(Cc2cccc(-c3ccc(-c4cccc(Cc5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C32H26/c1-3-9-25(10-4-1)21-27-13-7-15-31(23-27)29-17-19-30(20-18-29)32-16-8-14-28(24-32)22-26-11-5-2-6-12-26/h1-20,23-24H,21-22H2
InChIKeyBQYISBPMOYCLFP-UHFFFAOYSA-N
MW410.56 g/mol
LogP8.20
Rot. Bonds6

About 1,4-bis(3-benzylphenyl)benzene

1,4-bis(3-benzylphenyl)benzene (PubChem CID 175442136) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1,4-bis(3-benzylphenyl)benzene.

Molecular Properties

Compound Name1,4-bis(3-benzylphenyl)benzene
PubChem CID175442136
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name1,4-bis(3-benzylphenyl)benzene
SMILESc1ccc(Cc2cccc(-c3ccc(-c4cccc(Cc5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C32H26/c1-3-9-25(10-4-1)21-27-13-7-15-31(23-27)29-17-19-30(20-18-29)32-16-8-14-28(24-32)22-26-11-5-2-6-12-26/h1-20,23-24H,21-22H2
InChIKeyBQYISBPMOYCLFP-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
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3-benzyl-7-(3-phenylphenyl)dibenzofuran
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1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
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CID 11194569
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-benzylphenyl)benzene?
The IUPAC name of 1,4-bis(3-benzylphenyl)benzene (CID 175442136) is 1,4-bis(3-benzylphenyl)benzene.
What is the SMILES notation for 1,4-bis(3-benzylphenyl)benzene?
The canonical SMILES for 1,4-bis(3-benzylphenyl)benzene is c1ccc(Cc2cccc(-c3ccc(-c4cccc(Cc5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of 1,4-bis(3-benzylphenyl)benzene?
The InChIKey is BQYISBPMOYCLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-3-9-25(10-4-1)21-27-13-7-15-31(23-27)29-17-19-30(20-18-29)32-16-8-14-28(24-32)22-26-11-5-2-6-12-26/h1-20,23-24H,21-22H2.
What are the key properties of 1,4-bis(3-benzylphenyl)benzene?
1,4-bis(3-benzylphenyl)benzene has a molecular weight of 410.56 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-benzylphenyl)benzene is sourced from PubChem (CID 175442136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).