9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole

C26H16N4S — CID 122381679

IUPAC9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3cccnc32)s1
InChIInChI=1S/C26H16N4S/c1-3-11-21-17(7-1)19-9-5-15-27-25(19)29(21)23-13-14-24(31-23)30-22-12-4-2-8-18(22)20-10-6-16-28-26(20)30/h1-16H
InChIKeyUWNFFQBOMFZPDY-UHFFFAOYSA-N
MW416.51 g/mol
LogP6.73
Rot. Bonds2

About 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole

9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole (PubChem CID 122381679) has the molecular formula C26H16N4S and a molecular weight of 416.51 g/mol. Its IUPAC name is 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole
PubChem CID122381679
Molecular FormulaC26H16N4S
Molecular Weight416.51 g/mol
Exact Mass416.11
IUPAC Name9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3cccnc32)s1
InChIInChI=1S/C26H16N4S/c1-3-11-21-17(7-1)19-9-5-15-27-25(19)29(21)23-13-14-24(31-23)30-22-12-4-2-8-18(22)20-10-6-16-28-26(20)30/h1-16H
InChIKeyUWNFFQBOMFZPDY-UHFFFAOYSA-N
XLogP6.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole (CID 122381679) is 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3cccnc32)s1.
What is the InChIKey of 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole?
The InChIKey is UWNFFQBOMFZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4S/c1-3-11-21-17(7-1)19-9-5-15-27-25(19)29(21)23-13-14-24(31-23)30-22-12-4-2-8-18(22)20-10-6-16-28-26(20)30/h1-16H.
What are the key properties of 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole?
9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole has a molecular weight of 416.51 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-pyrido[2,3-b]indol-9-ylthiophen-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 122381679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).