N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine

C54H36N2 — CID 174276936

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc4ccccc4c3c2)c1
InChIInChI=1S/C54H36N2/c1-2-14-41-34-43(27-24-37(41)12-1)42-15-11-16-45(35-42)55(46-33-30-40-26-25-38-13-3-4-17-47(38)51(40)36-46)44-31-28-39(29-32-44)48-18-5-8-21-52(48)56-53-22-9-6-19-49(53)50-20-7-10-23-54(50)56/h1-36H
InChIKeyRCSZHDQTTHIPOX-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine (PubChem CID 174276936) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
PubChem CID174276936
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc4ccccc4c3c2)c1
InChIInChI=1S/C54H36N2/c1-2-14-41-34-43(27-24-37(41)12-1)42-15-11-16-45(35-42)55(46-33-30-40-26-25-38-13-3-4-17-47(38)51(40)36-46)44-31-28-39(29-32-44)48-18-5-8-21-52(48)56-53-22-9-6-19-49(53)50-20-7-10-23-54(50)56/h1-36H
InChIKeyRCSZHDQTTHIPOX-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine 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-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 167322421
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939681

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine (CID 174276936) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc4ccccc4c3c2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine?
The InChIKey is RCSZHDQTTHIPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-14-41-34-43(27-24-37(41)12-1)42-15-11-16-45(35-42)55(46-33-30-40-26-25-38-13-3-4-17-47(38)51(40)36-46)44-31-28-39(29-32-44)48-18-5-8-21-52(48)56-53-22-9-6-19-49(53)50-20-7-10-23-54(50)56/h1-36H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 174276936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).