3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine

C28H22N2 — CID 139380119

IUPAC3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
SMILESc1ccc(Nc2cccc(Nc3cccc(-c4cccc5ccccc45)c3)c2)cc1
InChIInChI=1S/C28H22N2/c1-2-12-23(13-3-1)29-25-15-8-16-26(20-25)30-24-14-6-11-22(19-24)28-18-7-10-21-9-4-5-17-27(21)28/h1-20,29-30H
InChIKeyNBFYNFJYJLYLAP-UHFFFAOYSA-N
MW386.50 g/mol
LogP7.99
Rot. Bonds5

About 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine

3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine (PubChem CID 139380119) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
PubChem CID139380119
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
SMILESc1ccc(Nc2cccc(Nc3cccc(-c4cccc5ccccc45)c3)c2)cc1
InChIInChI=1S/C28H22N2/c1-2-12-23(13-3-1)29-25-15-8-16-26(20-25)30-24-14-6-11-22(19-24)28-18-7-10-21-9-4-5-17-27(21)28/h1-20,29-30H
InChIKeyNBFYNFJYJLYLAP-UHFFFAOYSA-N
XLogP7.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
3-phenanthren-9-yl-N-phenylaniline
CID 134376612
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
1-[3-(2-phenylethenyl)phenyl]naphthalene
CID 72533477
N-(3-naphthalen-1-ylphenyl)-4-phenyldibenzofuran-1-amine
CID 172544792

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine (CID 139380119) is 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine is c1ccc(Nc2cccc(Nc3cccc(-c4cccc5ccccc45)c3)c2)cc1.
What is the InChIKey of 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine?
The InChIKey is NBFYNFJYJLYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-2-12-23(13-3-1)29-25-15-8-16-26(20-25)30-24-14-6-11-22(19-24)28-18-7-10-21-9-4-5-17-27(21)28/h1-20,29-30H.
What are the key properties of 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine?
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine has a molecular weight of 386.50 g/mol, XLogP of 7.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 139380119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).