2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline

C44H30N2 — CID 130250077

IUPAC2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C44H30N2/c1-3-14-34(15-4-1)45(35-16-5-2-6-17-35)42-21-11-9-19-38(42)33-26-28-40-39-20-10-12-22-43(39)46(44(40)29-33)36-27-25-32-24-23-31-13-7-8-18-37(31)41(32)30-36/h1-30H
InChIKeyWNOPTSAARIBFML-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline

2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline (PubChem CID 130250077) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline
PubChem CID130250077
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C44H30N2/c1-3-14-34(15-4-1)45(35-16-5-2-6-17-35)42-21-11-9-19-38(42)33-26-28-40-39-20-10-12-22-43(39)46(44(40)29-33)36-27-25-32-24-23-31-13-7-8-18-37(31)41(32)30-36/h1-30H
InChIKeyWNOPTSAARIBFML-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-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

N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[3-[2-(9-phenanthren-3-ylcarbazol-3-yl)phenyl]phenyl]-N,2,4-triphenylaniline
CID 118103162
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170271814
N-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N-(3-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303122
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline?
The IUPAC name of 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline (CID 130250077) is 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline?
The InChIKey is WNOPTSAARIBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-3-14-34(15-4-1)45(35-16-5-2-6-17-35)42-21-11-9-19-38(42)33-26-28-40-39-20-10-12-22-43(39)46(44(40)29-33)36-27-25-32-24-23-31-13-7-8-18-37(31)41(32)30-36/h1-30H.
What are the key properties of 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline?
2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline has a molecular weight of 586.74 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenanthren-3-ylcarbazol-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 130250077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).