2-thiophen-2-yl-3H-benzo[e]indole

C16H11NS — CID 131886269

IUPAC2-thiophen-2-yl-3H-benzo[e]indole
SMILESc1csc(-c2cc3c(ccc4ccccc43)[nH]2)c1
InChIInChI=1S/C16H11NS/c1-2-5-12-11(4-1)7-8-14-13(12)10-15(17-14)16-6-3-9-18-16/h1-10,17H
InChIKeySPLMTLIDUILYLE-UHFFFAOYSA-N
MW249.34 g/mol
LogP5.05
Rot. Bonds1

About 2-thiophen-2-yl-3H-benzo[e]indole

2-thiophen-2-yl-3H-benzo[e]indole (PubChem CID 131886269) has the molecular formula C16H11NS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-3H-benzo[e]indole.

Molecular Properties

Compound Name2-thiophen-2-yl-3H-benzo[e]indole
PubChem CID131886269
Molecular FormulaC16H11NS
Molecular Weight249.34 g/mol
Exact Mass249.06
IUPAC Name2-thiophen-2-yl-3H-benzo[e]indole
SMILESc1csc(-c2cc3c(ccc4ccccc43)[nH]2)c1
InChIInChI=1S/C16H11NS/c1-2-5-12-11(4-1)7-8-14-13(12)10-15(17-14)16-6-3-9-18-16/h1-10,17H
InChIKeySPLMTLIDUILYLE-UHFFFAOYSA-N
XLogP5.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.34
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-thiophen-2-yl-1H-indol-6-amine
CID 82390356
6-methoxy-2-thiophen-2-yl-1H-quinolin-4-one
CID 24903566
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761
4-fluoro-7-methyl-2-thiophen-2-yl-1H-indole
CID 131887170
10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90238864
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole
CID 141273774
5,7,12-triazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 137256687
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627
3H-benzo[e]indole-2-carboxamide
CID 69052139

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3H-benzo[e]indole?
The IUPAC name of 2-thiophen-2-yl-3H-benzo[e]indole (CID 131886269) is 2-thiophen-2-yl-3H-benzo[e]indole.
What is the SMILES notation for 2-thiophen-2-yl-3H-benzo[e]indole?
The canonical SMILES for 2-thiophen-2-yl-3H-benzo[e]indole is c1csc(-c2cc3c(ccc4ccccc43)[nH]2)c1.
What is the InChIKey of 2-thiophen-2-yl-3H-benzo[e]indole?
The InChIKey is SPLMTLIDUILYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS/c1-2-5-12-11(4-1)7-8-14-13(12)10-15(17-14)16-6-3-9-18-16/h1-10,17H.
What are the key properties of 2-thiophen-2-yl-3H-benzo[e]indole?
2-thiophen-2-yl-3H-benzo[e]indole has a molecular weight of 249.34 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3H-benzo[e]indole is sourced from PubChem (CID 131886269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).