3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine

C24H20N2 — CID 121301760

IUPAC3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
SMILESNc1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1N
InChIInChI=1S/C24H20N2/c25-23-14-6-13-22(24(23)26)21-12-5-11-20(16-21)19-10-4-9-18(15-19)17-7-2-1-3-8-17/h1-16H,25-26H2
InChIKeyNQOUYIYOYQONJF-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.85
Rot. Bonds3

About 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine

3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine (PubChem CID 121301760) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
PubChem CID121301760
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
SMILESNc1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1N
InChIInChI=1S/C24H20N2/c25-23-14-6-13-22(24(23)26)21-12-5-11-20(16-21)19-10-4-9-18(15-19)17-7-2-1-3-8-17/h1-16H,25-26H2
InChIKeyNQOUYIYOYQONJF-UHFFFAOYSA-N
XLogP5.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752
3-phenylbenzene-1,2-diamine
CID 18968019
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
3-phenylbenzene-1,2-diamine;propane
CID 70378466
3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
CID 175025707
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
CID 67882576
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine (CID 121301760) is 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine is Nc1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1N.
What is the InChIKey of 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine?
The InChIKey is NQOUYIYOYQONJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-23-14-6-13-22(24(23)26)21-12-5-11-20(16-21)19-10-4-9-18(15-19)17-7-2-1-3-8-17/h1-16H,25-26H2.
What are the key properties of 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine?
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 121301760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).