6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one

C31H19N5O — CID 70651486

IUPAC6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)c3ccccc3n12
InChIInChI=1S/C31H19N5O/c37-30-24-9-1-3-11-25(24)33-31-35(27-13-5-6-14-28(27)36(30)31)21-17-15-20(16-18-21)34-26-12-4-2-8-22(26)23-10-7-19-32-29(23)34/h1-19H
InChIKeyWPCBXXUFVGEHHP-UHFFFAOYSA-N
MW477.53 g/mol
LogP6.28
Rot. Bonds2

About 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one

6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 70651486) has the molecular formula C31H19N5O and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one
PubChem CID70651486
Molecular FormulaC31H19N5O
Molecular Weight477.53 g/mol
Exact Mass477.16
IUPAC Name6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2n(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)c3ccccc3n12
InChIInChI=1S/C31H19N5O/c37-30-24-9-1-3-11-25(24)33-31-35(27-13-5-6-14-28(27)36(30)31)21-17-15-20(16-18-21)34-26-12-4-2-8-22(26)23-10-7-19-32-29(23)34/h1-19H
InChIKeyWPCBXXUFVGEHHP-UHFFFAOYSA-N
XLogP6.28
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-phenylpyrido[2,3-b]indole
CID 15939260
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
6-thiophen-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 132528672
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)benzimidazolo[2,1-b]quinazolin-12-one
CID 70651487
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
CID 165126101
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
7,17-diphenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaene
CID 140956283

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one (CID 70651486) is 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2n(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)c3ccccc3n12.
What is the InChIKey of 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is WPCBXXUFVGEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5O/c37-30-24-9-1-3-11-25(24)33-31-35(27-13-5-6-14-28(27)36(30)31)21-17-15-20(16-18-21)34-26-12-4-2-8-22(26)23-10-7-19-32-29(23)34/h1-19H.
What are the key properties of 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one?
6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 477.53 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 70651486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).