9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole

C22H14N4 — CID 86059681

IUPAC9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2-n1c2ccccc2c2ccncc21
InChIInChI=1S/C22H14N4/c1-3-7-19-15(5-1)17-9-11-23-13-21(17)25(19)26-20-8-4-2-6-16(20)18-10-12-24-14-22(18)26/h1-14H
InChIKeyXAJANKHEYZUOPN-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.00
Rot. Bonds1

About 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole

9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole (PubChem CID 86059681) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
PubChem CID86059681
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
SMILESc1ccc2c(c1)c1ccncc1n2-n1c2ccccc2c2ccncc21
InChIInChI=1S/C22H14N4/c1-3-7-19-15(5-1)17-9-11-23-13-21(17)25(19)26-20-8-4-2-6-16(20)18-10-12-24-14-22(18)26/h1-14H
InChIKeyXAJANKHEYZUOPN-UHFFFAOYSA-N
XLogP5.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-nitropyrido[3,4-b]indole;hydrochloride
CID 22185253
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
3-pyrido[3,4-b]indol-9-ylpropanenitrile
CID 91665992
N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine
CID 153420870
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
9-(18-pyrido[3,4-b]indol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)pyrido[3,4-b]indole
CID 59147045
phenyl pyrido[3,4-b]indole-9-carboxylate
CID 86206232
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243

Frequently Asked Questions

What is the IUPAC name of 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole?
The IUPAC name of 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole (CID 86059681) is 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole.
What is the SMILES notation for 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole?
The canonical SMILES for 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole is c1ccc2c(c1)c1ccncc1n2-n1c2ccccc2c2ccncc21.
What is the InChIKey of 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole?
The InChIKey is XAJANKHEYZUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-3-7-19-15(5-1)17-9-11-23-13-21(17)25(19)26-20-8-4-2-6-16(20)18-10-12-24-14-22(18)26/h1-14H.
What are the key properties of 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole?
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole has a molecular weight of 334.38 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole is sourced from PubChem (CID 86059681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).