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

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Related Compounds

7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
9H-pyrido[3,4-b]indole-7-carbonitrile
CID 22185223
6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole
CID 141129553
6-phenyl-9H-pyrido[3,4-b]indole
CID 122607643
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
8-chloro-5H-benzo[c][1,7]naphthyridin-6-one
CID 134324107
11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446298
2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one
CID 123731180
5,7-dimethyl-9H-pyrido[3,4-b]indole
CID 22566324
6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 171053458
7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
CID 141040361
6-pyridin-4-yloxy-1H-indazole
CID 163366641

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).