N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine

C44H30N2 — CID 89251617

IUPACN-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H30N2/c1-3-14-33(15-4-1)45(36-27-28-44-42(30-36)40-21-11-12-22-43(40)46(44)34-16-5-2-6-17-34)35-25-23-31(24-26-35)41-29-32-13-7-8-18-37(32)38-19-9-10-20-39(38)41/h1-30H
InChIKeyQXYCKAHYOSPDLV-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine

N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine (PubChem CID 89251617) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
PubChem CID89251617
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H30N2/c1-3-14-33(15-4-1)45(36-27-28-44-42(30-36)40-21-11-12-22-43(40)46(44)34-16-5-2-6-17-34)35-25-23-31(24-26-35)41-29-32-13-7-8-18-37(32)38-19-9-10-20-39(38)41/h1-30H
InChIKeyQXYCKAHYOSPDLV-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 N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-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

9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 168809328
4-(6-phenanthren-9-ylnaphthalen-2-yl)-N,N-diphenylaniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158840520
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
N,N-bis(4-phenanthren-9-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195296

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine (CID 89251617) is N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine?
The InChIKey is QXYCKAHYOSPDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-3-14-33(15-4-1)45(36-27-28-44-42(30-36)40-21-11-12-22-43(40)46(44)34-16-5-2-6-17-34)35-25-23-31(24-26-35)41-29-32-13-7-8-18-37(32)38-19-9-10-20-39(38)41/h1-30H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine?
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine 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 N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 89251617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).