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

C37H24N4 — CID 70807705

IUPAC6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccc6n45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H24N4/c1-3-11-26(12-4-1)33-23-29(24-34(38-33)27-13-5-2-6-14-27)25-19-21-28(22-20-25)36-39-31-16-8-7-15-30(31)37-40-32-17-9-10-18-35(32)41(36)37/h1-24H
InChIKeySNXCYMQZZLVRDH-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.10
Rot. Bonds4

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

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 70807705) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
PubChem CID70807705
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccc6n45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H24N4/c1-3-11-26(12-4-1)33-23-29(24-34(38-33)27-13-5-2-6-14-27)25-19-21-28(22-20-25)36-39-31-16-8-7-15-30(31)37-40-32-17-9-10-18-35(32)41(36)37/h1-24H
InChIKeySNXCYMQZZLVRDH-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

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Related Compounds

6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
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-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508934
4-[4-[6-(benzimidazolo[1,2-c]quinazolin-6-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 154940310
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
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
11-[4-[4-(3,10,12-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-11-yl)phenyl]phenyl]-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 70807727
6-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134508826

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline (CID 70807705) is 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5nc6ccccc6n45)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is SNXCYMQZZLVRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-3-11-26(12-4-1)33-23-29(24-34(38-33)27-13-5-2-6-14-27)25-19-21-28(22-20-25)36-39-31-16-8-7-15-30(31)37-40-32-17-9-10-18-35(32)41(36)37/h1-24H.
What are the key properties of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline?
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline 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 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70807705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).