1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine

C36H24N2S — CID 154697120

IUPAC1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4sc5ccccc5c34)c3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C36H24N2S/c1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-30-27-16-7-9-19-32(27)37-36(30)31(23-26)28-18-11-21-34-35(28)29-17-8-10-20-33(29)39-34/h1-23,37H
InChIKeyXTMCXDNAHZFLKR-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.83
Rot. Bonds4

About 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine

1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine (PubChem CID 154697120) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
PubChem CID154697120
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4sc5ccccc5c34)c3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C36H24N2S/c1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-30-27-16-7-9-19-32(27)37-36(30)31(23-26)28-18-11-21-34-35(28)29-17-8-10-20-33(29)39-34/h1-23,37H
InChIKeyXTMCXDNAHZFLKR-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

1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
CID 154697134
1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697226
8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697104
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176
5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 122551978
2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
CID 166134111
9-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697221
8-(9H-carbazol-1-yl)-N,N-dinaphthalen-2-yldibenzothiophen-2-amine
CID 154697158
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
5-dibenzothiophen-1-yl-3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134337286
N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697274
8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine?
The IUPAC name of 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine (CID 154697120) is 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine.
What is the SMILES notation for 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine?
The canonical SMILES for 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine is c1ccc(N(c2ccccc2)c2cc(-c3cccc4sc5ccccc5c34)c3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine?
The InChIKey is XTMCXDNAHZFLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-30-27-16-7-9-19-32(27)37-36(30)31(23-26)28-18-11-21-34-35(28)29-17-8-10-20-33(29)39-34/h1-23,37H.
What are the key properties of 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine?
1-dibenzothiophen-1-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 1-dibenzothiophen-1-yl-N,N-diphenyl-9H-carbazol-3-amine is sourced from PubChem (CID 154697120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).