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

C19H13N3 — CID 10334023

IUPAC1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1
InChIInChI=1S/C19H13N3/c1-3-7-16-13(6-1)15(11-21-16)18-19-14(9-10-20-18)12-5-2-4-8-17(12)22-19/h1-11,21-22H
InChIKeyOGIMCDMIYGVEHU-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.86
Rot. Bonds1

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

1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole (PubChem CID 10334023) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole
PubChem CID10334023
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1
InChIInChI=1S/C19H13N3/c1-3-7-16-13(6-1)15(11-21-16)18-19-14(9-10-20-18)12-5-2-4-8-17(12)22-19/h1-11,21-22H
InChIKeyOGIMCDMIYGVEHU-UHFFFAOYSA-N
XLogP4.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole (CID 10334023) is 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole is c1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1.
What is the InChIKey of 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is OGIMCDMIYGVEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-3-7-16-13(6-1)15(11-21-16)18-19-14(9-10-20-18)12-5-2-4-8-17(12)22-19/h1-11,21-22H.
What are the key properties of 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole?
1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 283.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10334023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).