3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole

C30H21NS — CID 129111753

IUPAC3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)=CCC1
InChIInChI=1S/C30H21NS/c1-2-9-20(10-3-1)21-17-18-26-24(19-21)22-11-4-6-13-25(22)31(26)27-14-8-16-29-30(27)23-12-5-7-15-28(23)32-29/h2,4-19H,1,3H2
InChIKeyPPPJNERJGXVGCT-UHFFFAOYSA-N
MW427.57 g/mol
LogP8.89
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole

3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole (PubChem CID 129111753) has the molecular formula C30H21NS and a molecular weight of 427.57 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
PubChem CID129111753
Molecular FormulaC30H21NS
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC Name3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)=CCC1
InChIInChI=1S/C30H21NS/c1-2-9-20(10-3-1)21-17-18-26-24(19-21)22-11-4-6-13-25(22)31(26)27-14-8-16-29-30(27)23-12-5-7-15-28(23)32-29/h2,4-19H,1,3H2
InChIKeyPPPJNERJGXVGCT-UHFFFAOYSA-N
XLogP8.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
2-[4-(3-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167454247
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole (CID 129111753) is 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole is C1=CC(c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)=CCC1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole?
The InChIKey is PPPJNERJGXVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS/c1-2-9-20(10-3-1)21-17-18-26-24(19-21)22-11-4-6-13-25(22)31(26)27-14-8-16-29-30(27)23-12-5-7-15-28(23)32-29/h2,4-19H,1,3H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole?
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole has a molecular weight of 427.57 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole is sourced from PubChem (CID 129111753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).