N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine

C58H36N2S — CID 174307742

IUPACN-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3ccccc3c3c2c2ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H36N2S/c1-3-16-40(17-4-1)59(42-29-32-56-52(36-42)49-25-13-14-26-55(49)61-56)54-35-39-15-7-8-20-43(39)58-57(54)50-31-28-38(34-53(50)60(58)41-18-5-2-6-19-41)37-27-30-48-46-23-10-9-21-44(46)45-22-11-12-24-47(45)51(48)33-37/h1-36H
InChIKeyOKTHZQLHGXBTMP-UHFFFAOYSA-N
MW793.01 g/mol
LogP16.90
Rot. Bonds5

About N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine

N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine (PubChem CID 174307742) has the molecular formula C58H36N2S and a molecular weight of 793.01 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
PubChem CID174307742
Molecular FormulaC58H36N2S
Molecular Weight793.01 g/mol
Exact Mass792.26
IUPAC NameN-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3ccccc3c3c2c2ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H36N2S/c1-3-16-40(17-4-1)59(42-29-32-56-52(36-42)49-25-13-14-26-55(49)61-56)54-35-39-15-7-8-20-43(39)58-57(54)50-31-28-38(34-53(50)60(58)41-18-5-2-6-19-41)37-27-30-48-46-23-10-9-21-44(46)45-22-11-12-24-47(45)51(48)33-37/h1-36H
InChIKeyOKTHZQLHGXBTMP-UHFFFAOYSA-N
XLogP16.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.01
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-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,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781468
N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
CID 174307393
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 118349662
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781903

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine (CID 174307742) is N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc3ccccc3c3c2c2ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The InChIKey is OKTHZQLHGXBTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S/c1-3-16-40(17-4-1)59(42-29-32-56-52(36-42)49-25-13-14-26-55(49)61-56)54-35-39-15-7-8-20-43(39)58-57(54)50-31-28-38(34-53(50)60(58)41-18-5-2-6-19-41)37-27-30-48-46-23-10-9-21-44(46)45-22-11-12-24-47(45)51(48)33-37/h1-36H.
What are the key properties of N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine has a molecular weight of 793.01 g/mol, XLogP of 16.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174307742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).