4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine

C38H29N3 — CID 130250792

IUPAC4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3-c3ccc(Nc4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C38H29N3/c1-2-11-29(12-3-1)39-30-22-24-32(25-23-30)40-37-17-9-8-14-34(37)27-18-20-31(21-19-27)41-38-26-28-10-4-5-13-33(28)35-15-6-7-16-36(35)38/h1-26,39-41H
InChIKeyZFTCNBGPKITSBM-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.89
Rot. Bonds7

About 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine

4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 130250792) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
PubChem CID130250792
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC Name4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3-c3ccc(Nc4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C38H29N3/c1-2-11-29(12-3-1)39-30-22-24-32(25-23-30)40-37-17-9-8-14-34(37)27-18-20-31(21-19-27)41-38-26-28-10-4-5-13-33(28)35-15-6-7-16-36(35)38/h1-26,39-41H
InChIKeyZFTCNBGPKITSBM-UHFFFAOYSA-N
XLogP10.89
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-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

N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
9-[2-(4-chlorophenyl)phenyl]phenanthrene;N-[4-(2-phenanthren-9-ylphenyl)phenyl]-2-phenylaniline;2-phenylaniline
CID 163647493
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
CID 144681198
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine (CID 130250792) is 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccccc3-c3ccc(Nc4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine?
The InChIKey is ZFTCNBGPKITSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3/c1-2-11-29(12-3-1)39-30-22-24-32(25-23-30)40-37-17-9-8-14-34(37)27-18-20-31(21-19-27)41-38-26-28-10-4-5-13-33(28)35-15-6-7-16-36(35)38/h1-26,39-41H.
What are the key properties of 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine?
4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 527.67 g/mol, XLogP of 10.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 130250792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).