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

C29H18N6O — CID 171448271

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n2c2ccccc12
InChIInChI=1S/C29H18N6O/c36-27-21-15-7-8-16-22(21)34-23-17-9-10-18-24(23)35(29(34)33-27)28-31-25(19-11-3-1-4-12-19)30-26(32-28)20-13-5-2-6-14-20/h1-18H
InChIKeyGWXYMTGJVGFMON-UHFFFAOYSA-N
MW466.50 g/mol
LogP5.31
Rot. Bonds3

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

7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 171448271) has the molecular formula C29H18N6O and a molecular weight of 466.50 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
PubChem CID171448271
Molecular FormulaC29H18N6O
Molecular Weight466.50 g/mol
Exact Mass466.15
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n2c2ccccc12
InChIInChI=1S/C29H18N6O/c36-27-21-15-7-8-16-22(21)34-23-17-9-10-18-24(23)35(29(34)33-27)28-31-25(19-11-3-1-4-12-19)30-26(32-28)20-13-5-2-6-14-20/h1-18H
InChIKeyGWXYMTGJVGFMON-UHFFFAOYSA-N
XLogP5.31
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 171448039
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
CID 171448152
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
CID 155120301
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170381313
10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-a]benzimidazole
CID 139407350
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylquinazolino[1,2-c]quinazolin-13-one
CID 171448072
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
CID 139407431
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 146638502
5-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-c]quinazolin-6-one
CID 164776268
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15,21-triazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-one
CID 171448038
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one (CID 171448271) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one is O=c1nc2n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n2c2ccccc12.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is GWXYMTGJVGFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N6O/c36-27-21-15-7-8-16-22(21)34-23-17-9-10-18-24(23)35(29(34)33-27)28-31-25(19-11-3-1-4-12-19)30-26(32-28)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one has a molecular weight of 466.50 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 171448271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).