6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline

C31H20N4 — CID 70807699

IUPAC6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc4ccccc4c4nc5ccccc5n34)c2)cc1
InChIInChI=1S/C31H20N4/c1-3-11-21(12-4-1)23-19-27(22-13-5-2-6-14-22)32-28(20-23)31-33-25-16-8-7-15-24(25)30-34-26-17-9-10-18-29(26)35(30)31/h1-20H
InChIKeyVYHVPBHYNJVIPT-UHFFFAOYSA-N
MW448.53 g/mol
LogP7.43
Rot. Bonds3

About 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline

6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline (PubChem CID 70807699) has the molecular formula C31H20N4 and a molecular weight of 448.53 g/mol. Its IUPAC name is 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
PubChem CID70807699
Molecular FormulaC31H20N4
Molecular Weight448.53 g/mol
Exact Mass448.17
IUPAC Name6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc4ccccc4c4nc5ccccc5n34)c2)cc1
InChIInChI=1S/C31H20N4/c1-3-11-21(12-4-1)23-19-27(22-13-5-2-6-14-22)32-28(20-23)31-33-25-16-8-7-15-24(25)30-34-26-17-9-10-18-29(26)35(30)31/h1-20H
InChIKeyVYHVPBHYNJVIPT-UHFFFAOYSA-N
XLogP7.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508934
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
5-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-9-thia-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939517
6-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134508826
4-[4-(4-phenylphenyl)phenyl]-5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 58038243
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
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
19-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3,10,19-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4,6,8,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432352

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline (CID 70807699) is 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc4ccccc4c4nc5ccccc5n34)c2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is VYHVPBHYNJVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4/c1-3-11-21(12-4-1)23-19-27(22-13-5-2-6-14-22)32-28(20-23)31-33-25-16-8-7-15-24(25)30-34-26-17-9-10-18-29(26)35(30)31/h1-20H.
What are the key properties of 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline?
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 448.53 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70807699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).