4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline

C47H31N5 — CID 118552088

IUPAC4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2cnc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)nc2)cc1
InChIInChI=1S/C47H31N5/c1-4-10-32(11-5-1)38-20-21-43-44(29-38)51-47(52-45(43)37-14-8-3-9-15-37)41-27-39(35-18-16-34(17-19-35)36-22-24-48-25-23-36)26-40(28-41)46-49-30-42(31-50-46)33-12-6-2-7-13-33/h1-31H
InChIKeyKDWSMXGYPDQXOG-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.48
Rot. Bonds7

About 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline

4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline (PubChem CID 118552088) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline.

Molecular Properties

Compound Name4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
PubChem CID118552088
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
SMILESc1ccc(-c2cnc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)nc2)cc1
InChIInChI=1S/C47H31N5/c1-4-10-32(11-5-1)38-20-21-43-44(29-38)51-47(52-45(43)37-14-8-3-9-15-37)41-27-39(35-18-16-34(17-19-35)36-22-24-48-25-23-36)26-40(28-41)46-49-30-42(31-50-46)33-12-6-2-7-13-33/h1-31H
InChIKeyKDWSMXGYPDQXOG-UHFFFAOYSA-N
XLogP11.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline 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

4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
CID 118552649
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
CID 118552110
4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
CID 118552412
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline
CID 118552352
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline?
The IUPAC name of 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline (CID 118552088) is 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline.
What is the SMILES notation for 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline?
The canonical SMILES for 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline is c1ccc(-c2cnc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)nc2)cc1.
What is the InChIKey of 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline?
The InChIKey is KDWSMXGYPDQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-4-10-32(11-5-1)38-20-21-43-44(29-38)51-47(52-45(43)37-14-8-3-9-15-37)41-27-39(35-18-16-34(17-19-35)36-22-24-48-25-23-36)26-40(28-41)46-49-30-42(31-50-46)33-12-6-2-7-13-33/h1-31H.
What are the key properties of 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline?
4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline has a molecular weight of 665.80 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline is sourced from PubChem (CID 118552088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).