3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline

C37H24N4 — CID 164762547

IUPAC3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)c3nc5ccccc5n34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H24N4/c1-4-12-25(13-5-1)30-23-29-22-28(20-21-34(29)41-35-19-11-10-18-31(35)40-37(30)41)33-24-32(26-14-6-2-7-15-26)38-36(39-33)27-16-8-3-9-17-27/h1-24H
InChIKeyGASKPCMWTOQKOJ-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.10
Rot. Bonds4

About 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline

3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline (PubChem CID 164762547) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline
PubChem CID164762547
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)c3nc5ccccc5n34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H24N4/c1-4-12-25(13-5-1)30-23-29-22-28(20-21-34(29)41-35-19-11-10-18-31(35)40-37(30)41)33-24-32(26-14-6-2-7-15-26)38-36(39-33)27-16-8-3-9-17-27/h1-24H
InChIKeyGASKPCMWTOQKOJ-UHFFFAOYSA-N
XLogP9.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[3-(benzimidazolo[1,2-a]quinolin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 167030704
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180354
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 140939547
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
25-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432579
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
26-(2,6-diphenylpyrimidin-4-yl)-3,10,26-triazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432978
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
3-[3-(benzimidazolo[1,2-a]quinolin-6-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]benzimidazolo[1,2-a]quinoline;6-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazolo[1,2-a]quinoline
CID 164978322
1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 159325924
6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159551143
25-(4,6-diphenylpyrimidin-2-yl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432339

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline?
The IUPAC name of 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline (CID 164762547) is 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline?
The canonical SMILES for 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline is c1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)c3nc5ccccc5n34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline?
The InChIKey is GASKPCMWTOQKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-4-12-25(13-5-1)30-23-29-22-28(20-21-34(29)41-35-19-11-10-18-31(35)40-37(30)41)33-24-32(26-14-6-2-7-15-26)38-36(39-33)27-16-8-3-9-17-27/h1-24H.
What are the key properties of 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline?
3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline has a molecular weight of 524.63 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 164762547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).