3-phenanthren-9-yl-N-phenylaniline

C26H19N — CID 134376612

IUPAC3-phenanthren-9-yl-N-phenylaniline
SMILESc1ccc(Nc2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C26H19N/c1-2-11-21(12-3-1)27-22-13-8-10-19(17-22)26-18-20-9-4-5-14-23(20)24-15-6-7-16-25(24)26/h1-18,27H
InChIKeyWXPUQAWGQUYHKI-UHFFFAOYSA-N
MW345.45 g/mol
LogP7.40
Rot. Bonds3

About 3-phenanthren-9-yl-N-phenylaniline

3-phenanthren-9-yl-N-phenylaniline (PubChem CID 134376612) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-phenanthren-9-yl-N-phenylaniline.

Molecular Properties

Compound Name3-phenanthren-9-yl-N-phenylaniline
PubChem CID134376612
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC Name3-phenanthren-9-yl-N-phenylaniline
SMILESc1ccc(Nc2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C26H19N/c1-2-11-21(12-3-1)27-22-13-8-10-19(17-22)26-18-20-9-4-5-14-23(20)24-15-6-7-16-25(24)26/h1-18,27H
InChIKeyWXPUQAWGQUYHKI-UHFFFAOYSA-N
XLogP7.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenanthren-9-yl-N-phenylaniline 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-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
N-phenylphenanthren-2-amine
CID 23175030
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 163642945
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenanthren-9-yl-N,N-bis(3-phenanthren-9-ylphenyl)aniline
CID 20735938
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-9-yl-N-phenylaniline?
The IUPAC name of 3-phenanthren-9-yl-N-phenylaniline (CID 134376612) is 3-phenanthren-9-yl-N-phenylaniline.
What is the SMILES notation for 3-phenanthren-9-yl-N-phenylaniline?
The canonical SMILES for 3-phenanthren-9-yl-N-phenylaniline is c1ccc(Nc2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of 3-phenanthren-9-yl-N-phenylaniline?
The InChIKey is WXPUQAWGQUYHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-2-11-21(12-3-1)27-22-13-8-10-19(17-22)26-18-20-9-4-5-14-23(20)24-15-6-7-16-25(24)26/h1-18,27H.
What are the key properties of 3-phenanthren-9-yl-N-phenylaniline?
3-phenanthren-9-yl-N-phenylaniline has a molecular weight of 345.45 g/mol, XLogP of 7.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-9-yl-N-phenylaniline is sourced from PubChem (CID 134376612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).