1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole

C22H14N4 — CID 70800060

IUPAC1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1cnc(-c3nccc4c3[nH]c3ccccc34)cc12
InChIInChI=1S/C22H14N4/c1-4-8-18-13(5-1)15-9-10-23-22(21(15)26-18)19-11-16-14-6-2-3-7-17(14)25-20(16)12-24-19/h1-12,25-26H
InChIKeyFZGQIPNBIRFKDZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.41
Rot. Bonds1

About 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole

1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole (PubChem CID 70800060) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
PubChem CID70800060
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1cnc(-c3nccc4c3[nH]c3ccccc34)cc12
InChIInChI=1S/C22H14N4/c1-4-8-18-13(5-1)15-9-10-23-22(21(15)26-18)19-11-16-14-6-2-3-7-17(14)25-20(16)12-24-19/h1-12,25-26H
InChIKeyFZGQIPNBIRFKDZ-UHFFFAOYSA-N
XLogP5.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole (CID 70800060) is 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1cnc(-c3nccc4c3[nH]c3ccccc34)cc12.
What is the InChIKey of 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is FZGQIPNBIRFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-4-8-18-13(5-1)15-9-10-23-22(21(15)26-18)19-11-16-14-6-2-3-7-17(14)25-20(16)12-24-19/h1-12,25-26H.
What are the key properties of 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole?
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 334.38 g/mol, XLogP of 5.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 70800060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).