9-butyl-2,7-dithiophen-2-ylcarbazole

C24H21NS2 — CID 86255817

IUPAC9-butyl-2,7-dithiophen-2-ylcarbazole
SMILESCCCCn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21
InChIInChI=1S/C24H21NS2/c1-2-3-12-25-21-15-17(23-6-4-13-26-23)8-10-19(21)20-11-9-18(16-22(20)25)24-7-5-14-27-24/h4-11,13-16H,2-3,12H2,1H3
InChIKeyKNUNMVBQXSWZSC-UHFFFAOYSA-N
MW387.57 g/mol
LogP8.05
Rot. Bonds5

About 9-butyl-2,7-dithiophen-2-ylcarbazole

9-butyl-2,7-dithiophen-2-ylcarbazole (PubChem CID 86255817) has the molecular formula C24H21NS2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 9-butyl-2,7-dithiophen-2-ylcarbazole.

Molecular Properties

Compound Name9-butyl-2,7-dithiophen-2-ylcarbazole
PubChem CID86255817
Molecular FormulaC24H21NS2
Molecular Weight387.57 g/mol
Exact Mass387.11
IUPAC Name9-butyl-2,7-dithiophen-2-ylcarbazole
SMILESCCCCn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21
InChIInChI=1S/C24H21NS2/c1-2-3-12-25-21-15-17(23-6-4-13-26-23)8-10-19(21)20-11-9-18(16-22(20)25)24-7-5-14-27-24/h4-11,13-16H,2-3,12H2,1H3
InChIKeyKNUNMVBQXSWZSC-UHFFFAOYSA-N
XLogP8.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-2,7-dithiophen-2-ylcarbazole?
The IUPAC name of 9-butyl-2,7-dithiophen-2-ylcarbazole (CID 86255817) is 9-butyl-2,7-dithiophen-2-ylcarbazole.
What is the SMILES notation for 9-butyl-2,7-dithiophen-2-ylcarbazole?
The canonical SMILES for 9-butyl-2,7-dithiophen-2-ylcarbazole is CCCCn1c2cc(-c3cccs3)ccc2c2ccc(-c3cccs3)cc21.
What is the InChIKey of 9-butyl-2,7-dithiophen-2-ylcarbazole?
The InChIKey is KNUNMVBQXSWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NS2/c1-2-3-12-25-21-15-17(23-6-4-13-26-23)8-10-19(21)20-11-9-18(16-22(20)25)24-7-5-14-27-24/h4-11,13-16H,2-3,12H2,1H3.
What are the key properties of 9-butyl-2,7-dithiophen-2-ylcarbazole?
9-butyl-2,7-dithiophen-2-ylcarbazole has a molecular weight of 387.57 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-2,7-dithiophen-2-ylcarbazole is sourced from PubChem (CID 86255817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).