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

C49H33N3 — CID 118552649

IUPAC4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)cc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)cc4n3)c2)cc1
InChIInChI=1S/C49H33N3/c1-4-11-34(12-5-1)41-26-27-46-47(32-41)51-49(52-48(46)40-15-8-3-9-16-40)45-30-43(35-13-6-2-7-14-35)29-44(31-45)39-24-20-37(21-25-39)36-18-22-38(23-19-36)42-17-10-28-50-33-42/h1-33H
InChIKeyNPHQOQXCOSDJSY-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.69
Rot. Bonds7

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

4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline (PubChem CID 118552649) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
PubChem CID118552649
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)cc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)cc4n3)c2)cc1
InChIInChI=1S/C49H33N3/c1-4-11-34(12-5-1)41-26-27-46-47(32-41)51-49(52-48(46)40-15-8-3-9-16-40)45-30-43(35-13-6-2-7-14-35)29-44(31-45)39-24-20-37(21-25-39)36-18-22-38(23-19-36)42-17-10-28-50-33-42/h1-33H
InChIKeyNPHQOQXCOSDJSY-UHFFFAOYSA-N
XLogP12.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
CID 118552412
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 118332288
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine;bis(3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-dipyridin-3-ylquinolino[4,3-j]phenanthridine)
CID 159152596

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline?
The IUPAC name of 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline (CID 118552649) is 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline.
What is the SMILES notation for 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline?
The canonical SMILES for 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccnc5)cc4)cc3)cc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)cc4n3)c2)cc1.
What is the InChIKey of 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline?
The InChIKey is NPHQOQXCOSDJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-4-11-34(12-5-1)41-26-27-46-47(32-41)51-49(52-48(46)40-15-8-3-9-16-40)45-30-43(35-13-6-2-7-14-35)29-44(31-45)39-24-20-37(21-25-39)36-18-22-38(23-19-36)42-17-10-28-50-33-42/h1-33H.
What are the key properties of 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline?
4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline has a molecular weight of 663.82 g/mol, XLogP of 12.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline is sourced from PubChem (CID 118552649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).