3,6-dithiophen-2-yl-9H-carbazole

C20H13NS2 — CID 90859392

IUPAC3,6-dithiophen-2-yl-9H-carbazole
SMILESc1csc(-c2ccc3[nH]c4ccc(-c5cccs5)cc4c3c2)c1
InChIInChI=1S/C20H13NS2/c1-3-19(22-9-1)13-5-7-17-15(11-13)16-12-14(6-8-18(16)21-17)20-4-2-10-23-20/h1-12,21H
InChIKeyVFFMMTGRCBFHJJ-UHFFFAOYSA-N
MW331.47 g/mol
LogP6.78
Rot. Bonds2

About 3,6-dithiophen-2-yl-9H-carbazole

3,6-dithiophen-2-yl-9H-carbazole (PubChem CID 90859392) has the molecular formula C20H13NS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 3,6-dithiophen-2-yl-9H-carbazole.

Molecular Properties

Compound Name3,6-dithiophen-2-yl-9H-carbazole
PubChem CID90859392
Molecular FormulaC20H13NS2
Molecular Weight331.47 g/mol
Exact Mass331.05
IUPAC Name3,6-dithiophen-2-yl-9H-carbazole
SMILESc1csc(-c2ccc3[nH]c4ccc(-c5cccs5)cc4c3c2)c1
InChIInChI=1S/C20H13NS2/c1-3-19(22-9-1)13-5-7-17-15(11-13)16-12-14(6-8-18(16)21-17)20-4-2-10-23-20/h1-12,21H
InChIKeyVFFMMTGRCBFHJJ-UHFFFAOYSA-N
XLogP6.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.47
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dithiophen-2-yl-9H-carbazole?
The IUPAC name of 3,6-dithiophen-2-yl-9H-carbazole (CID 90859392) is 3,6-dithiophen-2-yl-9H-carbazole.
What is the SMILES notation for 3,6-dithiophen-2-yl-9H-carbazole?
The canonical SMILES for 3,6-dithiophen-2-yl-9H-carbazole is c1csc(-c2ccc3[nH]c4ccc(-c5cccs5)cc4c3c2)c1.
What is the InChIKey of 3,6-dithiophen-2-yl-9H-carbazole?
The InChIKey is VFFMMTGRCBFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NS2/c1-3-19(22-9-1)13-5-7-17-15(11-13)16-12-14(6-8-18(16)21-17)20-4-2-10-23-20/h1-12,21H.
What are the key properties of 3,6-dithiophen-2-yl-9H-carbazole?
3,6-dithiophen-2-yl-9H-carbazole has a molecular weight of 331.47 g/mol, XLogP of 6.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dithiophen-2-yl-9H-carbazole is sourced from PubChem (CID 90859392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).