7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one

C35H22N6O — CID 171448039

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3ccccc3n2c2ccccc12
InChIInChI=1S/C35H22N6O/c42-34-27-18-7-8-19-28(27)41-30-21-10-9-20-29(30)40(35(41)39-34)26-17-11-16-25(22-26)33-37-31(23-12-3-1-4-13-23)36-32(38-33)24-14-5-2-6-15-24/h1-22H
InChIKeyYEVADRSKZHUTFC-UHFFFAOYSA-N
MW542.60 g/mol
LogP6.98
Rot. Bonds4

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 171448039) has the molecular formula C35H22N6O and a molecular weight of 542.60 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
PubChem CID171448039
Molecular FormulaC35H22N6O
Molecular Weight542.60 g/mol
Exact Mass542.19
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3ccccc3n2c2ccccc12
InChIInChI=1S/C35H22N6O/c42-34-27-18-7-8-19-28(27)41-30-21-10-9-20-29(30)40(35(41)39-34)26-17-11-16-25(22-26)33-37-31(23-12-3-1-4-13-23)36-32(38-33)24-14-5-2-6-15-24/h1-22H
InChIKeyYEVADRSKZHUTFC-UHFFFAOYSA-N
XLogP6.98
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
CID 171448152
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenol
CID 121420257
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 165108051
10-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164969805
11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 164947595
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,20-diphenyl-10,13,20-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,14,16,18-octaene-12,21-dione
CID 170401429
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one (CID 171448039) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one is O=c1nc2n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c3ccccc3n2c2ccccc12.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is YEVADRSKZHUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N6O/c42-34-27-18-7-8-19-28(27)41-30-21-10-9-20-29(30)40(35(41)39-34)26-17-11-16-25(22-26)33-37-31(23-12-3-1-4-13-23)36-32(38-33)24-14-5-2-6-15-24/h1-22H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one has a molecular weight of 542.60 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 171448039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).