3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine

C24H20N2 — CID 175025707

IUPAC3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
SMILESNc1cccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C24H20N2/c25-23-12-6-11-22(24(23)26)21-10-5-4-9-20(21)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,25-26H2
InChIKeyVBAMAJNBWTWSDP-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.85
Rot. Bonds3

About 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine

3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine (PubChem CID 175025707) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
PubChem CID175025707
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
SMILESNc1cccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C24H20N2/c25-23-12-6-11-22(24(23)26)21-10-5-4-9-20(21)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,25-26H2
InChIKeyVBAMAJNBWTWSDP-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-phenylbenzene-1,2-diamine
CID 18968019
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752
3-phenylbenzene-1,2-diamine;propane
CID 70378466
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
2-(2,4-diphenylphenyl)aniline
CID 163426287
3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
CID 67882576
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665
CID 159962191
CID 159962191
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine (CID 175025707) is 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine is Nc1cccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)c1N.
What is the InChIKey of 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine?
The InChIKey is VBAMAJNBWTWSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-23-12-6-11-22(24(23)26)21-10-5-4-9-20(21)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,25-26H2.
What are the key properties of 3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine?
3-[2-(4-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-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 175025707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).