4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline

C42H28N4 — CID 144968804

IUPAC4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ncccn4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)cc2)cc1
InChIInChI=1S/C42H28N4/c1-4-11-29(12-5-1)31-17-19-32(20-18-31)35-25-36(41-43-23-10-24-44-41)27-37(26-35)42-45-39-28-34(30-13-6-2-7-14-30)21-22-38(39)40(46-42)33-15-8-3-9-16-33/h1-28H
InChIKeyYMHVKKWKVWHRDL-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.42
Rot. Bonds6

About 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline

4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline (PubChem CID 144968804) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline.

Molecular Properties

Compound Name4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
PubChem CID144968804
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ncccn4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)cc2)cc1
InChIInChI=1S/C42H28N4/c1-4-11-29(12-5-1)31-17-19-32(20-18-31)35-25-36(41-43-23-10-24-44-41)27-37(26-35)42-45-39-28-34(30-13-6-2-7-14-30)21-22-38(39)40(46-42)33-15-8-3-9-16-33/h1-28H
InChIKeyYMHVKKWKVWHRDL-UHFFFAOYSA-N
XLogP10.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
CID 118552088
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
CID 118552110
4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
CID 118552649
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-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline?
The IUPAC name of 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline (CID 144968804) is 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline.
What is the SMILES notation for 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline?
The canonical SMILES for 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline is c1ccc(-c2ccc(-c3cc(-c4ncccn4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)cc2)cc1.
What is the InChIKey of 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline?
The InChIKey is YMHVKKWKVWHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-4-11-29(12-5-1)31-17-19-32(20-18-31)35-25-36(41-43-23-10-24-44-41)27-37(26-35)42-45-39-28-34(30-13-6-2-7-14-30)21-22-38(39)40(46-42)33-15-8-3-9-16-33/h1-28H.
What are the key properties of 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline?
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline has a molecular weight of 588.71 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline is sourced from PubChem (CID 144968804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).