2-(3-Chlorophenyl)-1,3,5-triphenylbenzene

C30H21Cl — CID 169275191

IUPAC2-(3-chlorophenyl)-1,3,5-triphenylbenzene
SMILESC1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChIInChI=1S/C30H21Cl/c31-27-18-10-17-25(19-27)30-28(23-13-6-2-7-14-23)20-26(22-11-4-1-5-12-22)21-29(30)24-15-8-3-9-16-24/h1-21H
InChIKeyGGRPIOIQUHKSQJ-UHFFFAOYSA-N
MW416.90 g/mol
LogP9.50
Rot. Bonds4

About 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene

2-(3-Chlorophenyl)-1,3,5-triphenylbenzene (PubChem CID 169275191) has the molecular formula C30H21Cl and a molecular weight of 416.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3,5-triphenylbenzene.

Molecular Properties

Compound Name2-(3-Chlorophenyl)-1,3,5-triphenylbenzene
PubChem CID169275191
Molecular FormulaC30H21Cl
Molecular Weight416.90 g/mol
Exact Mass416.13
IUPAC Name2-(3-chlorophenyl)-1,3,5-triphenylbenzene
SMILESC1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChIInChI=1S/C30H21Cl/c31-27-18-10-17-25(19-27)30-28(23-13-6-2-7-14-23)20-26(22-11-4-1-5-12-22)21-29(30)24-15-8-3-9-16-24/h1-21H
InChIKeyGGRPIOIQUHKSQJ-UHFFFAOYSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity497

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.90
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene?
The IUPAC name of 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene (CID 169275191) is 2-(3-chlorophenyl)-1,3,5-triphenylbenzene.
What is the SMILES notation for 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene?
The canonical SMILES for 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene is C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5.
What is the InChIKey of 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene?
The InChIKey is GGRPIOIQUHKSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl/c31-27-18-10-17-25(19-27)30-28(23-13-6-2-7-14-23)20-26(22-11-4-1-5-12-22)21-29(30)24-15-8-3-9-16-24/h1-21H.
What are the key properties of 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene?
2-(3-Chlorophenyl)-1,3,5-triphenylbenzene has a molecular weight of 416.90 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-Chlorophenyl)-1,3,5-triphenylbenzene is sourced from PubChem (CID 169275191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).