1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene

C42H29Cl — CID 171525544

IUPAC1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
SMILESClc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C42H29Cl/c43-42-29-15-14-28-41(42)40-27-13-12-26-39(40)38-25-11-10-24-37(38)36-23-9-8-22-35(36)34-21-7-6-20-33(34)32-19-5-4-18-31(32)30-16-2-1-3-17-30/h1-29H
InChIKeyLCLFHBWVAHEQFE-UHFFFAOYSA-N
MW569.15 g/mol
LogP12.34
Rot. Bonds6

About 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene

1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene (PubChem CID 171525544) has the molecular formula C42H29Cl and a molecular weight of 569.15 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
PubChem CID171525544
Molecular FormulaC42H29Cl
Molecular Weight569.15 g/mol
Exact Mass568.20
IUPAC Name1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
SMILESClc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C42H29Cl/c43-42-29-15-14-28-41(42)40-27-13-12-26-39(40)38-25-11-10-24-37(38)36-23-9-8-22-35(36)34-21-7-6-20-33(34)32-19-5-4-18-31(32)30-16-2-1-3-17-30/h1-29H
InChIKeyLCLFHBWVAHEQFE-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.15
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene (CID 171525544) is 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene is Clc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
The InChIKey is LCLFHBWVAHEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29Cl/c43-42-29-15-14-28-41(42)40-27-13-12-26-39(40)38-25-11-10-24-37(38)36-23-9-8-22-35(36)34-21-7-6-20-33(34)32-19-5-4-18-31(32)30-16-2-1-3-17-30/h1-29H.
What are the key properties of 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene has a molecular weight of 569.15 g/mol, XLogP of 12.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 171525544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).