1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine

C43H35N — CID 174888350

IUPAC1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine
SMILESCN.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H30.CH5N/c1-5-15-31(16-6-1)35-25-36(32-17-7-2-8-18-32)28-39(27-35)41-23-13-14-24-42(41)40-29-37(33-19-9-3-10-20-33)26-38(30-40)34-21-11-4-12-22-34;1-2/h1-30H;2H2,1H3
InChIKeyGPUSXCNACKPJPF-UHFFFAOYSA-N
MW565.76 g/mol
LogP11.26
Rot. Bonds6

About 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine

1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine (PubChem CID 174888350) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine.

Molecular Properties

Compound Name1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine
PubChem CID174888350
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC Name1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine
SMILESCN.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H30.CH5N/c1-5-15-31(16-6-1)35-25-36(32-17-7-2-8-18-32)28-39(27-35)41-23-13-14-24-42(41)40-29-37(33-19-9-3-10-20-33)26-38(30-40)34-21-11-4-12-22-34;1-2/h1-30H;2H2,1H3
InChIKeyGPUSXCNACKPJPF-UHFFFAOYSA-N
XLogP11.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 511.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine?
The IUPAC name of 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine (CID 174888350) is 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine.
What is the SMILES notation for 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine?
The canonical SMILES for 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine is CN.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine?
The InChIKey is GPUSXCNACKPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.CH5N/c1-5-15-31(16-6-1)35-25-36(32-17-7-2-8-18-32)28-39(27-35)41-23-13-14-24-42(41)40-29-37(33-19-9-3-10-20-33)26-38(30-40)34-21-11-4-12-22-34;1-2/h1-30H;2H2,1H3.
What are the key properties of 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine?
1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine has a molecular weight of 565.76 g/mol, XLogP of 11.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine is sourced from PubChem (CID 174888350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).