2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole

C20H14N2S — CID 141030381

IUPAC2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
SMILESc1ccc2[nH]c(-c3ccc(-c4cc5ccccc5[nH]4)s3)cc2c1
InChIInChI=1S/C20H14N2S/c1-3-7-15-13(5-1)11-17(21-15)19-9-10-20(23-19)18-12-14-6-2-4-8-16(14)22-18/h1-12,21-22H
InChIKeyCDDNDUAJHOPQDJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP6.04
Rot. Bonds2

About 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole

2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole (PubChem CID 141030381) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
PubChem CID141030381
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC Name2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
SMILESc1ccc2[nH]c(-c3ccc(-c4cc5ccccc5[nH]4)s3)cc2c1
InChIInChI=1S/C20H14N2S/c1-3-7-15-13(5-1)11-17(21-15)19-9-10-20(23-19)18-12-14-6-2-4-8-16(14)22-18/h1-12,21-22H
InChIKeyCDDNDUAJHOPQDJ-UHFFFAOYSA-N
XLogP6.04
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chlorothiophen-2-yl)-1H-indole
CID 56687027
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
CID 3921207
2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
CID 142743500
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
CID 87602032
CID 87602032
2-(2-iodophenyl)-1H-indole
CID 12996175
4-(1H-indol-2-yl)phenol
CID 11287260
2-dibenzothiophen-1-yl-1H-indole
CID 175594663
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole?
The IUPAC name of 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole (CID 141030381) is 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole.
What is the SMILES notation for 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole?
The canonical SMILES for 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole is c1ccc2[nH]c(-c3ccc(-c4cc5ccccc5[nH]4)s3)cc2c1.
What is the InChIKey of 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole?
The InChIKey is CDDNDUAJHOPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S/c1-3-7-15-13(5-1)11-17(21-15)19-9-10-20(23-19)18-12-14-6-2-4-8-16(14)22-18/h1-12,21-22H.
What are the key properties of 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole?
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole has a molecular weight of 314.41 g/mol, XLogP of 6.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole is sourced from PubChem (CID 141030381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).