4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline

C47H31N5 — CID 118552352

IUPAC4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline
SMILESc1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccc(-c7ncccn7)cc6)cc5)cc(-c5cccnc5)c4)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C47H31N5/c1-3-9-32(10-4-1)38-22-23-44-43(30-38)45(36-11-5-2-6-12-36)52-47(51-44)42-28-40(27-41(29-42)39-13-7-24-48-31-39)35-16-14-33(15-17-35)34-18-20-37(21-19-34)46-49-25-8-26-50-46/h1-31H
InChIKeyGHWABCRCQCKSNF-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.48
Rot. Bonds7

About 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline

4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline (PubChem CID 118552352) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline
PubChem CID118552352
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline
SMILESc1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccc(-c7ncccn7)cc6)cc5)cc(-c5cccnc5)c4)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C47H31N5/c1-3-9-32(10-4-1)38-22-23-44-43(30-38)45(36-11-5-2-6-12-36)52-47(51-44)42-28-40(27-41(29-42)39-13-7-24-48-31-39)35-16-14-33(15-17-35)34-18-20-37(21-19-34)46-49-25-8-26-50-46/h1-31H
InChIKeyGHWABCRCQCKSNF-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

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Related Compounds

4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
CID 118552649
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
CID 159367402
4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
CID 118552039
4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
CID 118552088
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 158843888
6-[4-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819198
2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline?
The IUPAC name of 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline (CID 118552352) is 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline.
What is the SMILES notation for 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline?
The canonical SMILES for 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline is c1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccc(-c7ncccn7)cc6)cc5)cc(-c5cccnc5)c4)nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline?
The InChIKey is GHWABCRCQCKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-3-9-32(10-4-1)38-22-23-44-43(30-38)45(36-11-5-2-6-12-36)52-47(51-44)42-28-40(27-41(29-42)39-13-7-24-48-31-39)35-16-14-33(15-17-35)34-18-20-37(21-19-34)46-49-25-8-26-50-46/h1-31H.
What are the key properties of 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline?
4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]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 4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline is sourced from PubChem (CID 118552352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).