2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline

C60H40N4 — CID 118552110

IUPAC2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)c2)cc1
InChIInChI=1S/C60H40N4/c1-7-19-41(20-8-1)47-31-32-53-58(36-47)63-60(64-59(53)46-29-17-6-18-30-46)52-34-50(56-39-48(42-21-9-2-10-22-42)37-54(61-56)44-25-13-4-14-26-44)33-51(35-52)57-40-49(43-23-11-3-12-24-43)38-55(62-57)45-27-15-5-16-28-45/h1-40H
InChIKeyLARHIAULOQLUJQ-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.42
Rot. Bonds9

About 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline

2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline (PubChem CID 118552110) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline.

Molecular Properties

Compound Name2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
PubChem CID118552110
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)c2)cc1
InChIInChI=1S/C60H40N4/c1-7-19-41(20-8-1)47-31-32-53-58(36-47)63-60(64-59(53)46-29-17-6-18-30-46)52-34-50(56-39-48(42-21-9-2-10-22-42)37-54(61-56)44-25-13-4-14-26-44)33-51(35-52)57-40-49(43-23-11-3-12-24-43)38-55(62-57)45-27-15-5-16-28-45/h1-40H
InChIKeyLARHIAULOQLUJQ-UHFFFAOYSA-N
XLogP15.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
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
4,7-diphenyl-2-[3-(5-phenylpyrimidin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]quinazoline
CID 118552088
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2,4-bis(3,5-diphenylphenyl)-6-phenylpyridine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]pyridine;4-phenyl-2,6-bis[3-(4-phenylphenyl)phenyl]pyridine
CID 159753320
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline?
The IUPAC name of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline (CID 118552110) is 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline.
What is the SMILES notation for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline?
The canonical SMILES for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)c5ccc(-c6ccccc6)cc5n4)c3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline?
The InChIKey is LARHIAULOQLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-7-19-41(20-8-1)47-31-32-53-58(36-47)63-60(64-59(53)46-29-17-6-18-30-46)52-34-50(56-39-48(42-21-9-2-10-22-42)37-54(61-56)44-25-13-4-14-26-44)33-51(35-52)57-40-49(43-23-11-3-12-24-43)38-55(62-57)45-27-15-5-16-28-45/h1-40H.
What are the key properties of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline?
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline has a molecular weight of 817.01 g/mol, XLogP of 15.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,7-diphenylquinazoline is sourced from PubChem (CID 118552110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).