3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline

C30H20N2S — CID 139566104

IUPAC3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline
SMILESNc1ccc(-c2cccc3sc4ccccc4c23)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H20N2S/c31-19-16-17-22(23-11-7-15-29-30(23)24-10-3-6-14-28(24)33-29)27(18-19)32-25-12-4-1-8-20(25)21-9-2-5-13-26(21)32/h1-18H,31H2
InChIKeyFKHAPDKIXDPBIM-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.40
Rot. Bonds2

About 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline

3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline (PubChem CID 139566104) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline.

Molecular Properties

Compound Name3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline
PubChem CID139566104
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC Name3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline
SMILESNc1ccc(-c2cccc3sc4ccccc4c23)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H20N2S/c31-19-16-17-22(23-11-7-15-29-30(23)24-10-3-6-14-28(24)33-29)27(18-19)32-25-12-4-1-8-20(25)21-9-2-5-13-26(21)32/h1-18H,31H2
InChIKeyFKHAPDKIXDPBIM-UHFFFAOYSA-N
XLogP8.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
CID 146594533
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
CID 160779352
8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 139565903
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
CID 155299869
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
9-[2-[8-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607682
4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
CID 167149364
9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607658

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline?
The IUPAC name of 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline (CID 139566104) is 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline.
What is the SMILES notation for 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline?
The canonical SMILES for 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline is Nc1ccc(-c2cccc3sc4ccccc4c23)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline?
The InChIKey is FKHAPDKIXDPBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c31-19-16-17-22(23-11-7-15-29-30(23)24-10-3-6-14-28(24)33-29)27(18-19)32-25-12-4-1-8-20(25)21-9-2-5-13-26(21)32/h1-18H,31H2.
What are the key properties of 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline?
3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline has a molecular weight of 440.57 g/mol, XLogP of 8.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline is sourced from PubChem (CID 139566104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).