2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene

C28H19Cl — CID 171525540

IUPAC2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene
SMILESClc1ccccc1-c1cc2ccccc2cc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C28H19Cl/c29-28-17-9-8-16-25(28)27-19-22-13-5-4-12-21(22)18-26(27)24-15-7-6-14-23(24)20-10-2-1-3-11-20/h1-19H
InChIKeyYJGINENJUHHXKF-UHFFFAOYSA-N
MW390.91 g/mol
LogP8.49
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene

2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene (PubChem CID 171525540) has the molecular formula C28H19Cl and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene
PubChem CID171525540
Molecular FormulaC28H19Cl
Molecular Weight390.91 g/mol
Exact Mass390.12
IUPAC Name2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene
SMILESClc1ccccc1-c1cc2ccccc2cc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C28H19Cl/c29-28-17-9-8-16-25(28)27-19-22-13-5-4-12-21(22)18-26(27)24-15-7-6-14-23(24)20-10-2-1-3-11-20/h1-19H
InChIKeyYJGINENJUHHXKF-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene?
The IUPAC name of 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene (CID 171525540) is 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene is Clc1ccccc1-c1cc2ccccc2cc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene?
The InChIKey is YJGINENJUHHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl/c29-28-17-9-8-16-25(28)27-19-22-13-5-4-12-21(22)18-26(27)24-15-7-6-14-23(24)20-10-2-1-3-11-20/h1-19H.
What are the key properties of 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene?
2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene has a molecular weight of 390.91 g/mol, XLogP of 8.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene is sourced from PubChem (CID 171525540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).