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

C30H24N2 — CID 121301752

IUPAC3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
SMILESNc1cccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2)c1N
InChIInChI=1S/C30H24N2/c31-29-11-5-10-28(30(29)32)25-18-16-24(17-19-25)27-9-4-8-26(20-27)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h1-20H,31-32H2
InChIKeyBCXMVDRWSUVWMO-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.52
Rot. Bonds4

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

3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine (PubChem CID 121301752) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
PubChem CID121301752
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
SMILESNc1cccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2)c1N
InChIInChI=1S/C30H24N2/c31-29-11-5-10-28(30(29)32)25-18-16-24(17-19-25)27-9-4-8-26(20-27)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h1-20H,31-32H2
InChIKeyBCXMVDRWSUVWMO-UHFFFAOYSA-N
XLogP7.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.52
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-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
3-phenylbenzene-1,2-diamine
CID 18968019
3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
CID 175025707
3-phenylbenzene-1,2-diamine;propane
CID 70378466
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
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine?
The IUPAC name of 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine (CID 121301752) is 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine?
The canonical SMILES for 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine is Nc1cccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc2)c1N.
What is the InChIKey of 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine?
The InChIKey is BCXMVDRWSUVWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c31-29-11-5-10-28(30(29)32)25-18-16-24(17-19-25)27-9-4-8-26(20-27)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h1-20H,31-32H2.
What are the key properties of 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine?
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine has a molecular weight of 412.54 g/mol, XLogP of 7.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine is sourced from PubChem (CID 121301752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).