4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline

C36H24N2S — CID 145299761

IUPAC4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline
SMILESc1ccc2c(c1)[nH]c1ccc(-c3ccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C36H24N2S/c1-3-7-33-29(5-1)31-21-25(13-19-34(31)38-33)23-9-15-27(16-10-23)37-28-17-11-24(12-18-28)26-14-20-36-32(22-26)30-6-2-4-8-35(30)39-36/h1-22,37-38H
InChIKeyLMCFBOXSCPKPRI-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.77
Rot. Bonds4

About 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline

4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline (PubChem CID 145299761) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline
PubChem CID145299761
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline
SMILESc1ccc2c(c1)[nH]c1ccc(-c3ccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C36H24N2S/c1-3-7-33-29(5-1)31-21-25(13-19-34(31)38-33)23-9-15-27(16-10-23)37-28-17-11-24(12-18-28)26-14-20-36-32(22-26)30-6-2-4-8-35(30)39-36/h1-22,37-38H
InChIKeyLMCFBOXSCPKPRI-UHFFFAOYSA-N
XLogP10.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 510.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
2-(4-iodophenyl)dibenzothiophene
CID 118465203
3-(1-adamantyl)-N-(4-dibenzothiophen-2-ylphenyl)aniline
CID 164934550
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 71234830
4-(9H-carbazol-3-yl)-N-phenyl-2-[4-(3-phenylphenyl)phenyl]aniline
CID 121262045
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
5-(7-anilinodibenzothiophen-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 131980064
N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
CID 131980060
4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
CID 164934429
3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
CID 66799481

Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline?
The IUPAC name of 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline (CID 145299761) is 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline.
What is the SMILES notation for 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline?
The canonical SMILES for 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline is c1ccc2c(c1)[nH]c1ccc(-c3ccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12.
What is the InChIKey of 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline?
The InChIKey is LMCFBOXSCPKPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-3-7-33-29(5-1)31-21-25(13-19-34(31)38-33)23-9-15-27(16-10-23)37-28-17-11-24(12-18-28)26-14-20-36-32(22-26)30-6-2-4-8-35(30)39-36/h1-22,37-38H.
What are the key properties of 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline?
4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline has a molecular weight of 516.67 g/mol, XLogP of 10.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline is sourced from PubChem (CID 145299761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).