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

C35H24N4O — CID 70651487

IUPAC6-(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
SMILESCC1(C)c2ccccc2-n2c3ccc(-n4c5ccccc5n5c(=O)c6ccccc6nc45)cc3c3cccc1c32
InChIInChI=1S/C35H24N4O/c1-35(2)25-12-4-6-15-29(25)38-28-19-18-21(20-24(28)22-11-9-13-26(35)32(22)38)37-30-16-7-8-17-31(30)39-33(40)23-10-3-5-14-27(23)36-34(37)39/h3-20H,1-2H3
InChIKeyFRPQEBNVIPGGDF-UHFFFAOYSA-N
MW516.60 g/mol
LogP7.53
Rot. Bonds1

About 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

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 (PubChem CID 70651487) has the molecular formula C35H24N4O and a molecular weight of 516.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID70651487
Molecular FormulaC35H24N4O
Molecular Weight516.60 g/mol
Exact Mass516.20
IUPAC Name6-(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
SMILESCC1(C)c2ccccc2-n2c3ccc(-n4c5ccccc5n5c(=O)c6ccccc6nc45)cc3c3cccc1c32
InChIInChI=1S/C35H24N4O/c1-35(2)25-12-4-6-15-29(25)38-28-19-18-21(20-24(28)22-11-9-13-26(35)32(22)38)37-30-16-7-8-17-31(30)39-33(40)23-10-3-5-14-27(23)36-34(37)39/h3-20H,1-2H3
InChIKeyFRPQEBNVIPGGDF-UHFFFAOYSA-N
XLogP7.53
TPSA44.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

5-carbazol-9-yl-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-nonaene
CID 67325809
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
6-(4-pyrido[2,3-b]indol-9-ylphenyl)benzimidazolo[2,1-b]quinazolin-12-one
CID 70651486
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140920098
7,7-dimethyl-5-phenyl-2-(13-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-9-yl)indeno[2,1-b]carbazole
CID 154646690
7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole
CID 164744983
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-n2c3ccc(-n4c5ccccc5n5c(=O)c6ccccc6nc45)cc3c3cccc1c32.
What is the InChIKey of 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?
The InChIKey is FRPQEBNVIPGGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4O/c1-35(2)25-12-4-6-15-29(25)38-28-19-18-21(20-24(28)22-11-9-13-26(35)32(22)38)37-30-16-7-8-17-31(30)39-33(40)23-10-3-5-14-27(23)36-34(37)39/h3-20H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 516.60 g/mol, XLogP of 7.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).