4-phenanthren-3-yl-N,3-diphenylaniline

C32H23N — CID 177300604

IUPAC4-phenanthren-3-yl-N,3-diphenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc4ccc5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C32H23N/c1-3-9-23(10-4-1)32-22-28(33-27-12-5-2-6-13-27)19-20-30(32)26-18-17-25-16-15-24-11-7-8-14-29(24)31(25)21-26/h1-22,33H
InChIKeyJEQOJLJJJSADNA-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.07
Rot. Bonds4

About 4-phenanthren-3-yl-N,3-diphenylaniline

4-phenanthren-3-yl-N,3-diphenylaniline (PubChem CID 177300604) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-phenanthren-3-yl-N,3-diphenylaniline.

Molecular Properties

Compound Name4-phenanthren-3-yl-N,3-diphenylaniline
PubChem CID177300604
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name4-phenanthren-3-yl-N,3-diphenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc4ccc5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C32H23N/c1-3-9-23(10-4-1)32-22-28(33-27-12-5-2-6-13-27)19-20-30(32)26-18-17-25-16-15-24-11-7-8-14-29(24)31(25)21-26/h1-22,33H
InChIKeyJEQOJLJJJSADNA-UHFFFAOYSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-phenanthren-3-yl-N,3-diphenylaniline 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

4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
CID 164934515
N-phenylphenanthren-2-amine
CID 23175030
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
3-phenanthren-9-yl-N-phenylaniline
CID 134376612
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-3-yl-N,3-diphenylaniline?
The IUPAC name of 4-phenanthren-3-yl-N,3-diphenylaniline (CID 177300604) is 4-phenanthren-3-yl-N,3-diphenylaniline.
What is the SMILES notation for 4-phenanthren-3-yl-N,3-diphenylaniline?
The canonical SMILES for 4-phenanthren-3-yl-N,3-diphenylaniline is c1ccc(Nc2ccc(-c3ccc4ccc5ccccc5c4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-phenanthren-3-yl-N,3-diphenylaniline?
The InChIKey is JEQOJLJJJSADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-3-9-23(10-4-1)32-22-28(33-27-12-5-2-6-13-27)19-20-30(32)26-18-17-25-16-15-24-11-7-8-14-29(24)31(25)21-26/h1-22,33H.
What are the key properties of 4-phenanthren-3-yl-N,3-diphenylaniline?
4-phenanthren-3-yl-N,3-diphenylaniline has a molecular weight of 421.54 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-3-yl-N,3-diphenylaniline is sourced from PubChem (CID 177300604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).