N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine

C50H32N2S — CID 164790553

IUPACN-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc6sc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)c4)c32)cc1
InChIInChI=1S/C50H32N2S/c1-2-16-35(17-3-1)52-46-26-10-8-22-42(46)44-25-13-24-39(50(44)52)33-15-12-18-36(30-33)51(37-28-29-49-45(32-37)43-23-9-11-27-48(43)53-49)47-31-34-14-4-5-19-38(34)40-20-6-7-21-41(40)47/h1-32H
InChIKeyXBFOTAKQEXUDEI-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.59
Rot. Bonds5

About N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine

N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 164790553) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
PubChem CID164790553
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC NameN-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc6sc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)c4)c32)cc1
InChIInChI=1S/C50H32N2S/c1-2-16-35(17-3-1)52-46-26-10-8-22-42(46)44-25-13-24-39(50(44)52)33-15-12-18-36(30-33)51(37-28-29-49-45(32-37)43-23-9-11-27-48(43)53-49)47-31-34-14-4-5-19-38(34)40-20-6-7-21-41(40)47/h1-32H
InChIKeyXBFOTAKQEXUDEI-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-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-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-1-amine;N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
CID 165065577
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790713
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine (CID 164790553) is N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine is c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccc6sc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)c4)c32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is XBFOTAKQEXUDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-2-16-35(17-3-1)52-46-26-10-8-22-42(46)44-25-13-24-39(50(44)52)33-15-12-18-36(30-33)51(37-28-29-49-45(32-37)43-23-9-11-27-48(43)53-49)47-31-34-14-4-5-19-38(34)40-20-6-7-21-41(40)47/h1-32H.
What are the key properties of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine?
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 692.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 164790553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).