8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine

C36H24N2S — CID 154697104

IUPAC8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3[nH]c4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C36H24N2S/c1-3-11-24(12-4-1)38(25-13-5-2-6-14-25)26-21-22-33-32(23-26)29-17-9-16-28(35(29)37-33)31-19-10-18-30-27-15-7-8-20-34(27)39-36(30)31/h1-23,37H
InChIKeyGFRLGVSUQBQEEO-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.83
Rot. Bonds4

About 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine

8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine (PubChem CID 154697104) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine
PubChem CID154697104
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3[nH]c4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C36H24N2S/c1-3-11-24(12-4-1)38(25-13-5-2-6-14-25)26-21-22-33-32(23-26)29-17-9-16-28(35(29)37-33)31-19-10-18-30-27-15-7-8-20-34(27)39-36(30)31/h1-23,37H
InChIKeyGFRLGVSUQBQEEO-UHFFFAOYSA-N
XLogP10.83
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 510.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
CID 148725515
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697120
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697274
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine?
The IUPAC name of 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine (CID 154697104) is 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine.
What is the SMILES notation for 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine?
The canonical SMILES for 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3[nH]c4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1.
What is the InChIKey of 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine?
The InChIKey is GFRLGVSUQBQEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-3-11-24(12-4-1)38(25-13-5-2-6-14-25)26-21-22-33-32(23-26)29-17-9-16-28(35(29)37-33)31-19-10-18-30-27-15-7-8-20-34(27)39-36(30)31/h1-23,37H.
What are the key properties of 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine?
8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine has a molecular weight of 516.67 g/mol, XLogP of 10.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine is sourced from PubChem (CID 154697104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).