8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine

C30H22N2S — CID 139566081

IUPAC8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine
SMILESNc1ccc2sc3ccc(C4=CCCC=C4n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C30H22N2S/c31-20-14-16-30-25(18-20)24-17-19(13-15-29(24)33-30)21-7-1-4-10-26(21)32-27-11-5-2-8-22(27)23-9-3-6-12-28(23)32/h2-3,5-18H,1,4,31H2
InChIKeyZVFSPQZCASKSDI-UHFFFAOYSA-N
MW442.59 g/mol
LogP8.46
Rot. Bonds2

About 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine

8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine (PubChem CID 139566081) has the molecular formula C30H22N2S and a molecular weight of 442.59 g/mol. Its IUPAC name is 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine
PubChem CID139566081
Molecular FormulaC30H22N2S
Molecular Weight442.59 g/mol
Exact Mass442.15
IUPAC Name8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine
SMILESNc1ccc2sc3ccc(C4=CCCC=C4n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C30H22N2S/c31-20-14-16-30-25(18-20)24-17-19(13-15-29(24)33-30)21-7-1-4-10-26(21)32-27-11-5-2-8-22(27)23-9-3-6-12-28(23)32/h2-3,5-18H,1,4,31H2
InChIKeyZVFSPQZCASKSDI-UHFFFAOYSA-N
XLogP8.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 58.46
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

8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 139565903
4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
CID 167149364
7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
CID 155299869
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
CID 144619443
CID 144619443
8-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 126596466
2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
CID 145430412
3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
CID 138715596
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408

Frequently Asked Questions

What is the IUPAC name of 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine?
The IUPAC name of 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine (CID 139566081) is 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine?
The canonical SMILES for 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine is Nc1ccc2sc3ccc(C4=CCCC=C4n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine?
The InChIKey is ZVFSPQZCASKSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2S/c31-20-14-16-30-25(18-20)24-17-19(13-15-29(24)33-30)21-7-1-4-10-26(21)32-27-11-5-2-8-22(27)23-9-3-6-12-28(23)32/h2-3,5-18H,1,4,31H2.
What are the key properties of 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine?
8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine has a molecular weight of 442.59 g/mol, XLogP of 8.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 139566081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).