2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline

C42H28N4 — CID 118552145

IUPAC2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3ccccc23)cc1
InChIInChI=1S/C42H28N4/c1-2-10-33(11-3-1)41-37-12-4-5-15-40(37)45-42(46-41)36-27-34(29-16-20-31(21-17-29)38-13-6-8-24-43-38)26-35(28-36)30-18-22-32(23-19-30)39-14-7-9-25-44-39/h1-28H
InChIKeyOUEDPZZUYCHHGC-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.42
Rot. Bonds6

About 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline

2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline (PubChem CID 118552145) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
PubChem CID118552145
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3ccccc23)cc1
InChIInChI=1S/C42H28N4/c1-2-10-33(11-3-1)41-37-12-4-5-15-40(37)45-42(46-41)36-27-34(29-16-20-31(21-17-29)38-13-6-8-24-43-38)26-35(28-36)30-18-22-32(23-19-30)39-14-7-9-25-44-39/h1-28H
InChIKeyOUEDPZZUYCHHGC-UHFFFAOYSA-N
XLogP10.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-phenyl-7-(3-phenylphenyl)-2-[3-(3-pyridin-2-ylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)phenyl]quinazoline
CID 118552412
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
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
4,7-diphenyl-2-[3-(4-phenylphenyl)-5-pyrimidin-2-ylphenyl]quinazoline
CID 144968804
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210532
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 159892616
22-[4-[3-[6-(3-phenylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-[6-(4-phenylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 162035485

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline (CID 118552145) is 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline is c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline?
The InChIKey is OUEDPZZUYCHHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-2-10-33(11-3-1)41-37-12-4-5-15-40(37)45-42(46-41)36-27-34(29-16-20-31(21-17-29)38-13-6-8-24-43-38)26-35(28-36)30-18-22-32(23-19-30)39-14-7-9-25-44-39/h1-28H.
What are the key properties of 2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline?
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline has a molecular weight of 588.71 g/mol, XLogP of 10.42, 6 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-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline is sourced from PubChem (CID 118552145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).