2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform

C58H42Cl6N2 — CID 139179397

IUPAC2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform
SMILESClC(Cl)Cl.ClC(Cl)Cl.c1ccc(-c2cc(C(c3ccccc3)c3ccccc3)nc3ccc(-c4ccc5nc(C(c6ccccc6)c6ccccc6)cc(-c6ccccc6)c5c4)cc23)cc1
InChIInChI=1S/C56H40N2.2CHCl3/c1-7-19-39(20-8-1)47-37-53(55(41-23-11-3-12-24-41)42-25-13-4-14-26-42)57-51-33-31-45(35-49(47)51)46-32-34-52-50(36-46)48(40-21-9-2-10-22-40)38-54(58-52)56(43-27-15-5-16-28-43)44-29-17-6-18-30-44;2*2-1(3)4/h1-38,55-56H;2*1H
InChIKeyJKWMAXCBPCUAOV-UHFFFAOYSA-N
MW979.71 g/mol
LogP18.12
Rot. Bonds9

About 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform

2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform (PubChem CID 139179397) has the molecular formula C58H42Cl6N2 and a molecular weight of 979.71 g/mol. Its IUPAC name is 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform.

Molecular Properties

Compound Name2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform
PubChem CID139179397
Molecular FormulaC58H42Cl6N2
Molecular Weight979.71 g/mol
Exact Mass976.15
IUPAC Name2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform
SMILESClC(Cl)Cl.ClC(Cl)Cl.c1ccc(-c2cc(C(c3ccccc3)c3ccccc3)nc3ccc(-c4ccc5nc(C(c6ccccc6)c6ccccc6)cc(-c6ccccc6)c5c4)cc23)cc1
InChIInChI=1S/C56H40N2.2CHCl3/c1-7-19-39(20-8-1)47-37-53(55(41-23-11-3-12-24-41)42-25-13-4-14-26-42)57-51-33-31-45(35-49(47)51)46-32-34-52-50(36-46)48(40-21-9-2-10-22-40)38-54(58-52)56(43-27-15-5-16-28-43)44-29-17-6-18-30-44;2*2-1(3)4/h1-38,55-56H;2*1H
InChIKeyJKWMAXCBPCUAOV-UHFFFAOYSA-N
XLogP18.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.71
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform?
The IUPAC name of 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform (CID 139179397) is 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform.
What is the SMILES notation for 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform?
The canonical SMILES for 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform is ClC(Cl)Cl.ClC(Cl)Cl.c1ccc(-c2cc(C(c3ccccc3)c3ccccc3)nc3ccc(-c4ccc5nc(C(c6ccccc6)c6ccccc6)cc(-c6ccccc6)c5c4)cc23)cc1.
What is the InChIKey of 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform?
The InChIKey is JKWMAXCBPCUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2.2CHCl3/c1-7-19-39(20-8-1)47-37-53(55(41-23-11-3-12-24-41)42-25-13-4-14-26-42)57-51-33-31-45(35-49(47)51)46-32-34-52-50(36-46)48(40-21-9-2-10-22-40)38-54(58-52)56(43-27-15-5-16-28-43)44-29-17-6-18-30-44;2*2-1(3)4/h1-38,55-56H;2*1H.
What are the key properties of 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform?
2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform has a molecular weight of 979.71 g/mol, XLogP of 18.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-6-(2-benzhydryl-4-phenylquinolin-6-yl)-4-phenylquinoline;chloroform is sourced from PubChem (CID 139179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).