4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine

C60H42N2 — CID 169063238

IUPAC4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)ccc2Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H42N2/c1-5-19-43(20-6-1)56-41-52(35-37-58(56)61-49-34-32-42-18-13-14-25-46(42)38-49)62(50-27-11-4-12-28-50)51-29-17-26-47(39-51)48-33-36-54-53-30-15-16-31-55(53)59(44-21-7-2-8-22-44)60(57(54)40-48)45-23-9-3-10-24-45/h1-41,61H
InChIKeyKBAGFDXBECHZJC-UHFFFAOYSA-N
MW791.01 g/mol
LogP17.03
Rot. Bonds9

About 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine

4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine (PubChem CID 169063238) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine
PubChem CID169063238
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)ccc2Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C60H42N2/c1-5-19-43(20-6-1)56-41-52(35-37-58(56)61-49-34-32-42-18-13-14-25-46(42)38-49)62(50-27-11-4-12-28-50)51-29-17-26-47(39-51)48-33-36-54-53-30-15-16-31-55(53)59(44-21-7-2-8-22-44)60(57(54)40-48)45-23-9-3-10-24-45/h1-41,61H
InChIKeyKBAGFDXBECHZJC-UHFFFAOYSA-N
XLogP17.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 517.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-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

2-[3-(N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-4-naphthalen-1-ylanilino)phenyl]-N-phenylaniline
CID 169063785
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
CID 169065529
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
CID 146360664
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 169065390

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine (CID 169063238) is 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine is c1ccc(-c2cc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)ccc2Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine?
The InChIKey is KBAGFDXBECHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-19-43(20-6-1)56-41-52(35-37-58(56)61-49-34-32-42-18-13-14-25-46(42)38-49)62(50-27-11-4-12-28-50)51-29-17-26-47(39-51)48-33-36-54-53-30-15-16-31-55(53)59(44-21-7-2-8-22-44)60(57(54)40-48)45-23-9-3-10-24-45/h1-41,61H.
What are the key properties of 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine?
4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine has a molecular weight of 791.01 g/mol, XLogP of 17.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 169063238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).