N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine

C30H23N — CID 90153748

IUPAC2,4-diphenyl-N-(3-phenylphenyl)aniline
SMILESC1=CC=C(C=C1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChIInChI=1S/C30H23N/c1-4-11-23(12-5-1)26-17-10-18-28(21-26)31-30-20-19-27(24-13-6-2-7-14-24)22-29(30)25-15-8-3-9-16-25/h1-22,31H
InChIKeyCCZLEXCRLFXSCX-UHFFFAOYSA-N
MW397.50 g/mol
LogP8.30
Rot. Bonds5

About N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine

N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine (PubChem CID 90153748) has the molecular formula C30H23N and a molecular weight of 397.50 g/mol. Its IUPAC name is 2,4-diphenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine
PubChem CID90153748
Molecular FormulaC30H23N
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name2,4-diphenyl-N-(3-phenylphenyl)aniline
SMILESC1=CC=C(C=C1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChIInChI=1S/C30H23N/c1-4-11-23(12-5-1)26-17-10-18-28(21-26)31-30-20-19-27(24-13-6-2-7-14-24)22-29(30)25-15-8-3-9-16-25/h1-22,31H
InChIKeyCCZLEXCRLFXSCX-UHFFFAOYSA-N
XLogP8.30
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity511

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine?
The IUPAC name of N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine (CID 90153748) is 2,4-diphenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine?
The canonical SMILES for N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine is C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5.
What is the InChIKey of N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine?
The InChIKey is CCZLEXCRLFXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-4-11-23(12-5-1)26-17-10-18-28(21-26)31-30-20-19-27(24-13-6-2-7-14-24)22-29(30)25-15-8-3-9-16-25/h1-22,31H.
What are the key properties of N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine?
N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine has a molecular weight of 397.50 g/mol, XLogP of 8.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,1'-Biphenyl]-3-yl)-[1,1':3',1''-terphenyl]-4'-amine is sourced from PubChem (CID 90153748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).