9-dibenzothiophen-1-yl-3,6-dipentylcarbazole

C34H35NS — CID 90310016

IUPAC9-dibenzothiophen-1-yl-3,6-dipentylcarbazole
SMILESCCCCCc1ccc2c(c1)c1cc(CCCCC)ccc1n2-c1cccc2sc3ccccc3c12
InChIInChI=1S/C34H35NS/c1-3-5-7-12-24-18-20-29-27(22-24)28-23-25(13-8-6-4-2)19-21-30(28)35(29)31-15-11-17-33-34(31)26-14-9-10-16-32(26)36-33/h9-11,14-23H,3-8,12-13H2,1-2H3
InChIKeyAOHXSRYGSVLMEY-UHFFFAOYSA-N
MW489.73 g/mol
LogP10.62
Rot. Bonds9

About 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole

9-dibenzothiophen-1-yl-3,6-dipentylcarbazole (PubChem CID 90310016) has the molecular formula C34H35NS and a molecular weight of 489.73 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-3,6-dipentylcarbazole
PubChem CID90310016
Molecular FormulaC34H35NS
Molecular Weight489.73 g/mol
Exact Mass489.25
IUPAC Name9-dibenzothiophen-1-yl-3,6-dipentylcarbazole
SMILESCCCCCc1ccc2c(c1)c1cc(CCCCC)ccc1n2-c1cccc2sc3ccccc3c12
InChIInChI=1S/C34H35NS/c1-3-5-7-12-24-18-20-29-27(22-24)28-23-25(13-8-6-4-2)19-21-30(28)35(29)31-15-11-17-33-34(31)26-14-9-10-16-32(26)36-33/h9-11,14-23H,3-8,12-13H2,1-2H3
InChIKeyAOHXSRYGSVLMEY-UHFFFAOYSA-N
XLogP10.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.73
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
1-(4-butyl-2-fluorophenyl)dibenzothiophene
CID 174693369
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
2-tridecyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 67980792
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
CID 129111753

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole?
The IUPAC name of 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole (CID 90310016) is 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole.
What is the SMILES notation for 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole?
The canonical SMILES for 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole is CCCCCc1ccc2c(c1)c1cc(CCCCC)ccc1n2-c1cccc2sc3ccccc3c12.
What is the InChIKey of 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole?
The InChIKey is AOHXSRYGSVLMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NS/c1-3-5-7-12-24-18-20-29-27(22-24)28-23-25(13-8-6-4-2)19-21-30(28)35(29)31-15-11-17-33-34(31)26-14-9-10-16-32(26)36-33/h9-11,14-23H,3-8,12-13H2,1-2H3.
What are the key properties of 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole?
9-dibenzothiophen-1-yl-3,6-dipentylcarbazole has a molecular weight of 489.73 g/mol, XLogP of 10.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-3,6-dipentylcarbazole is sourced from PubChem (CID 90310016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).