9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile

C30H16N6 — CID 174122625

IUPAC9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3cc(C#N)ncc32)c1
InChIInChI=1S/C30H16N6/c31-15-19-11-21(35-27-7-3-1-5-23(27)25-9-10-33-17-29(25)35)14-22(12-19)36-28-8-4-2-6-24(28)26-13-20(16-32)34-18-30(26)36/h1-14,17-18H
InChIKeyDANIKRXBYVZQBG-UHFFFAOYSA-N
MW460.50 g/mol
LogP6.41
Rot. Bonds2

About 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile

9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile (PubChem CID 174122625) has the molecular formula C30H16N6 and a molecular weight of 460.50 g/mol. Its IUPAC name is 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile.

Molecular Properties

Compound Name9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile
PubChem CID174122625
Molecular FormulaC30H16N6
Molecular Weight460.50 g/mol
Exact Mass460.14
IUPAC Name9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3cc(C#N)ncc32)c1
InChIInChI=1S/C30H16N6/c31-15-19-11-21(35-27-7-3-1-5-23(27)25-9-10-33-17-29(25)35)14-22(12-19)36-28-8-4-2-6-24(28)26-13-20(16-32)34-18-30(26)36/h1-14,17-18H
InChIKeyDANIKRXBYVZQBG-UHFFFAOYSA-N
XLogP6.41
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
CID 176628062
3,5-bis(pyrido[3,4-b]indol-9-yl)benzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;9-[3-cyano-5-(3-isocyanopyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole-3-carbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;3-(3-isocyanocarbazol-9-yl)-5-pyrido[3,4-b]indol-9-ylbenzonitrile;9-[6-(3-isocyanopyrido[3,4-b]indol-9-yl)-2-pyridinyl]pyrido[3,4-b]indole-3-carbonitrile
CID 159668080
9-[3-[2-[(1Z)-buta-1,3-dienyl]-5-cyano-3-methylpyrrolo[2,3-c]pyridin-1-yl]-5-cyanophenyl]pyrido[3,4-b]indole-3-carbonitrile
CID 167038388
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-6-carbonitrile;9-[11-(3-isocyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]pyrido[3,4-b]indole-3,6-dicarbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile;9-(11-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3-carbonitrile;9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-ylpyrido[3,4-b]indole-3,6-dicarbonitrile
CID 159054102
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
3-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138566387
5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
CID 132545702
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3,6-dicarbonitrile
CID 146655387
3-(3,4-dihydropyrido[3,4-b]indol-9-yl)-5-(5,6-dihydropyrido[3,4-b]indol-9-yl)benzonitrile
CID 166777800
9-[3-cyano-5-[3-(20-oxa-3,6-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574947

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile?
The IUPAC name of 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile (CID 174122625) is 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile.
What is the SMILES notation for 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile?
The canonical SMILES for 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile is N#Cc1cc(-n2c3ccccc3c3ccncc32)cc(-n2c3ccccc3c3cc(C#N)ncc32)c1.
What is the InChIKey of 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile?
The InChIKey is DANIKRXBYVZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N6/c31-15-19-11-21(35-27-7-3-1-5-23(27)25-9-10-33-17-29(25)35)14-22(12-19)36-28-8-4-2-6-24(28)26-13-20(16-32)34-18-30(26)36/h1-14,17-18H.
What are the key properties of 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile?
9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile has a molecular weight of 460.50 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-cyano-5-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole-3-carbonitrile is sourced from PubChem (CID 174122625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).