N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine

C54H32N2S3 — CID 122462963

IUPACN,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)c5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C54H32N2S3/c1-2-12-35(13-3-1)56-46-18-8-4-14-38(46)42-28-33(22-25-47(42)56)34-29-45-41-17-7-11-21-51(41)59-54(45)48(30-34)55(36-23-26-52-43(31-36)39-15-5-9-19-49(39)57-52)37-24-27-53-44(32-37)40-16-6-10-20-50(40)58-53/h1-32H
InChIKeyDYPZZDXMIRYMJF-UHFFFAOYSA-N
MW805.07 g/mol
LogP17.02
Rot. Bonds5

About N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine

N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine (PubChem CID 122462963) has the molecular formula C54H32N2S3 and a molecular weight of 805.07 g/mol. Its IUPAC name is N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine
PubChem CID122462963
Molecular FormulaC54H32N2S3
Molecular Weight805.07 g/mol
Exact Mass804.17
IUPAC NameN,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)c5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C54H32N2S3/c1-2-12-35(13-3-1)56-46-18-8-4-14-38(46)42-28-33(22-25-47(42)56)34-29-45-41-17-7-11-21-51(41)59-54(45)48(30-34)55(36-23-26-52-43(31-36)39-15-5-9-19-49(39)57-52)37-24-27-53-44(32-37)40-16-6-10-20-50(40)58-53/h1-32H
InChIKeyDYPZZDXMIRYMJF-UHFFFAOYSA-N
XLogP17.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.07
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-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-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
CID 122462802
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 118011351

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine?
The IUPAC name of N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine (CID 122462963) is N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine?
The canonical SMILES for N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine is c1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)c5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine?
The InChIKey is DYPZZDXMIRYMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S3/c1-2-12-35(13-3-1)56-46-18-8-4-14-38(46)42-28-33(22-25-47(42)56)34-29-45-41-17-7-11-21-51(41)59-54(45)48(30-34)55(36-23-26-52-43(31-36)39-15-5-9-19-49(39)57-52)37-24-27-53-44(32-37)40-16-6-10-20-50(40)58-53/h1-32H.
What are the key properties of N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine?
N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine has a molecular weight of 805.07 g/mol, XLogP of 17.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 122462963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).