2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline

C41H29N5 — CID 118552345

IUPAC2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline
SMILESC1=CNC(c2ccc(-c3cc(-c4ccccn4)cc(-c4nc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)c3)cc2)N=C1
InChIInChI=1S/C41H29N5/c1-3-10-28(11-4-1)32-19-20-38-36(27-32)39(30-12-5-2-6-13-30)46-41(45-38)35-25-33(24-34(26-35)37-14-7-8-21-42-37)29-15-17-31(18-16-29)40-43-22-9-23-44-40/h1-27,40,43H
InChIKeyWGKAQDVJUYPWMF-UHFFFAOYSA-N
MW591.72 g/mol
LogP9.55
Rot. Bonds6

About 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline

2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline (PubChem CID 118552345) has the molecular formula C41H29N5 and a molecular weight of 591.72 g/mol. Its IUPAC name is 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline.

Molecular Properties

Compound Name2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline
PubChem CID118552345
Molecular FormulaC41H29N5
Molecular Weight591.72 g/mol
Exact Mass591.24
IUPAC Name2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline
SMILESC1=CNC(c2ccc(-c3cc(-c4ccccn4)cc(-c4nc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)c3)cc2)N=C1
InChIInChI=1S/C41H29N5/c1-3-10-28(11-4-1)32-19-20-38-36(27-32)39(30-12-5-2-6-13-30)46-41(45-38)35-25-33(24-34(26-35)37-14-7-8-21-42-37)29-15-17-31(18-16-29)40-43-22-9-23-44-40/h1-27,40,43H
InChIKeyWGKAQDVJUYPWMF-UHFFFAOYSA-N
XLogP9.55
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.72
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-[3-[6-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-6-(4-methylphenyl)-4-phenylquinazoline
CID 118552716
4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
CID 118552412
4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline
CID 118552352
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158338407
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline?
The IUPAC name of 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline (CID 118552345) is 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline.
What is the SMILES notation for 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline?
The canonical SMILES for 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline is C1=CNC(c2ccc(-c3cc(-c4ccccn4)cc(-c4nc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)c3)cc2)N=C1.
What is the InChIKey of 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline?
The InChIKey is WGKAQDVJUYPWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5/c1-3-10-28(11-4-1)32-19-20-38-36(27-32)39(30-12-5-2-6-13-30)46-41(45-38)35-25-33(24-34(26-35)37-14-7-8-21-42-37)29-15-17-31(18-16-29)40-43-22-9-23-44-40/h1-27,40,43H.
What are the key properties of 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline?
2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline has a molecular weight of 591.72 g/mol, XLogP of 9.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1,2-dihydropyrimidin-2-yl)phenyl]-5-pyridin-2-ylphenyl]-4,6-diphenylquinazoline is sourced from PubChem (CID 118552345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).