4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine

C55H38N2S — CID 176608635

IUPAC4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
SMILESCc1cccc(N(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3c2)c1
InChIInChI=1S/C55H38N2S/c1-37-17-16-22-40(33-37)56(41-31-32-43(38-18-4-2-5-19-38)48(34-41)39-20-6-3-7-21-39)42-35-49(55-50(36-42)47-26-11-15-30-54(47)58-55)46-25-10-14-29-53(46)57-51-27-12-8-23-44(51)45-24-9-13-28-52(45)57/h2-36H,1H3
InChIKeyFPCWHDAKHKFUIE-UHFFFAOYSA-N
MW758.99 g/mol
LogP15.93
Rot. Bonds7

About 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine

4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine (PubChem CID 176608635) has the molecular formula C55H38N2S and a molecular weight of 758.99 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
PubChem CID176608635
Molecular FormulaC55H38N2S
Molecular Weight758.99 g/mol
Exact Mass758.28
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
SMILESCc1cccc(N(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3c2)c1
InChIInChI=1S/C55H38N2S/c1-37-17-16-22-40(33-37)56(41-31-32-43(38-18-4-2-5-19-38)48(34-41)39-20-6-3-7-21-39)42-35-49(55-50(36-42)47-26-11-15-30-54(47)58-55)46-25-10-14-29-53(46)57-51-27-12-8-23-44(51)45-24-9-13-28-52(45)57/h2-36H,1H3
InChIKeyFPCWHDAKHKFUIE-UHFFFAOYSA-N
XLogP15.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.99
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)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

4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
CID 146638320
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
4-(4-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine
CID 176609226
5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604840
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 122463023
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
9-dibenzothiophen-4-yl-2-N-[7-(N-(3-methylphenyl)anilino)dibenzothiophen-2-yl]-2-N,6-N,6-N-triphenylcarbazole-2,6-diamine
CID 129194378
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-3-N,3-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605046
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine (CID 176608635) is 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine is Cc1cccc(N(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3c2)c1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
The InChIKey is FPCWHDAKHKFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2S/c1-37-17-16-22-40(33-37)56(41-31-32-43(38-18-4-2-5-19-38)48(34-41)39-20-6-3-7-21-39)42-35-49(55-50(36-42)47-26-11-15-30-54(47)58-55)46-25-10-14-29-53(46)57-51-27-12-8-23-44(51)45-24-9-13-28-52(45)57/h2-36H,1H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine?
4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine has a molecular weight of 758.99 g/mol, XLogP of 15.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(3-methylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 176608635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).