2,2-dithiophen-2-yl-1,9-dihydrocarbazole

C20H15NS2 — CID 155435255

IUPAC2,2-dithiophen-2-yl-1,9-dihydrocarbazole
SMILESC1=CC(c2cccs2)(c2cccs2)Cc2[nH]c3ccccc3c21
InChIInChI=1S/C20H15NS2/c1-2-6-16-14(5-1)15-9-10-20(13-17(15)21-16,18-7-3-11-22-18)19-8-4-12-23-19/h1-12,21H,13H2
InChIKeyOEJZCBUKULOQJJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.85
Rot. Bonds2

About 2,2-dithiophen-2-yl-1,9-dihydrocarbazole

2,2-dithiophen-2-yl-1,9-dihydrocarbazole (PubChem CID 155435255) has the molecular formula C20H15NS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2,2-dithiophen-2-yl-1,9-dihydrocarbazole.

Molecular Properties

Compound Name2,2-dithiophen-2-yl-1,9-dihydrocarbazole
PubChem CID155435255
Molecular FormulaC20H15NS2
Molecular Weight333.48 g/mol
Exact Mass333.06
IUPAC Name2,2-dithiophen-2-yl-1,9-dihydrocarbazole
SMILESC1=CC(c2cccs2)(c2cccs2)Cc2[nH]c3ccccc3c21
InChIInChI=1S/C20H15NS2/c1-2-6-16-14(5-1)15-9-10-20(13-17(15)21-16,18-7-3-11-22-18)19-8-4-12-23-19/h1-12,21H,13H2
InChIKeyOEJZCBUKULOQJJ-UHFFFAOYSA-N
XLogP5.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dithiophen-2-yl-1,9-dihydrocarbazole?
The IUPAC name of 2,2-dithiophen-2-yl-1,9-dihydrocarbazole (CID 155435255) is 2,2-dithiophen-2-yl-1,9-dihydrocarbazole.
What is the SMILES notation for 2,2-dithiophen-2-yl-1,9-dihydrocarbazole?
The canonical SMILES for 2,2-dithiophen-2-yl-1,9-dihydrocarbazole is C1=CC(c2cccs2)(c2cccs2)Cc2[nH]c3ccccc3c21.
What is the InChIKey of 2,2-dithiophen-2-yl-1,9-dihydrocarbazole?
The InChIKey is OEJZCBUKULOQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS2/c1-2-6-16-14(5-1)15-9-10-20(13-17(15)21-16,18-7-3-11-22-18)19-8-4-12-23-19/h1-12,21H,13H2.
What are the key properties of 2,2-dithiophen-2-yl-1,9-dihydrocarbazole?
2,2-dithiophen-2-yl-1,9-dihydrocarbazole has a molecular weight of 333.48 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dithiophen-2-yl-1,9-dihydrocarbazole is sourced from PubChem (CID 155435255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).