4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline

C53H35N5 — CID 118552412

IUPAC4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc(-c5cc(-c6cccc(-c7ccccn7)c6)cc(-c6cccc(-c7ccccn7)n6)c5)nc4c3)c2)cc1
InChIInChI=1S/C53H35N5/c1-3-14-36(15-4-1)38-18-11-19-39(30-38)41-26-27-46-51(35-41)57-53(58-52(46)37-16-5-2-6-17-37)45-33-43(40-20-12-21-42(31-40)47-22-7-9-28-54-47)32-44(34-45)48-24-13-25-50(56-48)49-23-8-10-29-55-49/h1-35H
InChIKeyINVJZTOJOGNBBD-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.15
Rot. Bonds8

About 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline

4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline (PubChem CID 118552412) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
PubChem CID118552412
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc(-c5cc(-c6cccc(-c7ccccn7)c6)cc(-c6cccc(-c7ccccn7)n6)c5)nc4c3)c2)cc1
InChIInChI=1S/C53H35N5/c1-3-14-36(15-4-1)38-18-11-19-39(30-38)41-26-27-46-51(35-41)57-53(58-52(46)37-16-5-2-6-17-37)45-33-43(40-20-12-21-42(31-40)47-22-7-9-28-54-47)32-44(34-45)48-24-13-25-50(56-48)49-23-8-10-29-55-49/h1-35H
InChIKeyINVJZTOJOGNBBD-UHFFFAOYSA-N
XLogP13.15
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
CID 118552110
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732230
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
2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 130316355
2-[3-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732312
4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
CID 118552649
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
8-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[i][1,9]phenanthroline;3,5-diphenyl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[i][1,9]phenanthroline;8-(4,6-diphenylpyrimidin-2-yl)-3,5-diphenylbenzo[i][1,9]phenanthroline;8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,5-diphenylbenzo[i][1,9]phenanthroline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-3,5-diphenylbenzo[i][1,9]phenanthroline
CID 165102432
4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
CID 118552088
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline?
The IUPAC name of 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline (CID 118552412) is 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline?
The canonical SMILES for 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline is c1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc(-c5cc(-c6cccc(-c7ccccn7)c6)cc(-c6cccc(-c7ccccn7)n6)c5)nc4c3)c2)cc1.
What is the InChIKey of 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline?
The InChIKey is INVJZTOJOGNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-3-14-36(15-4-1)38-18-11-19-39(30-38)41-26-27-46-51(35-41)57-53(58-52(46)37-16-5-2-6-17-37)45-33-43(40-20-12-21-42(31-40)47-22-7-9-28-54-47)32-44(34-45)48-24-13-25-50(56-48)49-23-8-10-29-55-49/h1-35H.
What are the key properties of 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline?
4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline has a molecular weight of 741.90 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline is sourced from PubChem (CID 118552412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).