7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole

C22H14N4O — CID 135314461

IUPAC7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
SMILESc1cc2c(cn1)[nH]c1cc(Oc3ccc4c(c3)[nH]c3cnccc34)ccc12
InChIInChI=1S/C22H14N4O/c1-3-15-17-5-7-23-11-21(17)25-19(15)9-13(1)27-14-2-4-16-18-6-8-24-12-22(18)26-20(16)10-14/h1-12,25-26H
InChIKeyRHFMAXUEASILCU-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.54
Rot. Bonds2

About 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole

7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole (PubChem CID 135314461) has the molecular formula C22H14N4O and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
PubChem CID135314461
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Name7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
SMILESc1cc2c(cn1)[nH]c1cc(Oc3ccc4c(c3)[nH]c3cnccc34)ccc12
InChIInChI=1S/C22H14N4O/c1-3-15-17-5-7-23-11-21(17)25-19(15)9-13(1)27-14-2-4-16-18-6-8-24-12-22(18)26-20(16)10-14/h1-12,25-26H
InChIKeyRHFMAXUEASILCU-UHFFFAOYSA-N
XLogP5.54
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole (CID 135314461) is 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole is c1cc2c(cn1)[nH]c1cc(Oc3ccc4c(c3)[nH]c3cnccc34)ccc12.
What is the InChIKey of 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole?
The InChIKey is RHFMAXUEASILCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c1-3-15-17-5-7-23-11-21(17)25-19(15)9-13(1)27-14-2-4-16-18-6-8-24-12-22(18)26-20(16)10-14/h1-12,25-26H.
What are the key properties of 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole?
7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole has a molecular weight of 350.38 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 135314461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).