7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol

C31H21N3O — CID 137052789

IUPAC7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
SMILESOc1c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc2cccnc12
InChIInChI=1S/C31H21N3O/c35-30-26(18-17-24-12-7-19-32-29(24)30)21-13-15-23(16-14-21)28-20-27(22-8-3-1-4-9-22)33-31(34-28)25-10-5-2-6-11-25/h1-20,35H
InChIKeySCOKHAKPKDVIKN-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.40
Rot. Bonds4

About 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol (PubChem CID 137052789) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
PubChem CID137052789
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
SMILESOc1c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc2cccnc12
InChIInChI=1S/C31H21N3O/c35-30-26(18-17-24-12-7-19-32-29(24)30)21-13-15-23(16-14-21)28-20-27(22-8-3-1-4-9-22)33-31(34-28)25-10-5-2-6-11-25/h1-20,35H
InChIKeySCOKHAKPKDVIKN-UHFFFAOYSA-N
XLogP7.40
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol
CID 136502667
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
8-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 142621932
8-[4-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267
2-[4-(2-phenyl-6-triphenylen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 168823379
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966
8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 58322624
3-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;3-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;3-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 162129344

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol?
The IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol (CID 137052789) is 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol.
What is the SMILES notation for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol?
The canonical SMILES for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol is Oc1c(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc2cccnc12.
What is the InChIKey of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol?
The InChIKey is SCOKHAKPKDVIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c35-30-26(18-17-24-12-7-19-32-29(24)30)21-13-15-23(16-14-21)28-20-27(22-8-3-1-4-9-22)33-31(34-28)25-10-5-2-6-11-25/h1-20,35H.
What are the key properties of 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol?
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol has a molecular weight of 451.53 g/mol, XLogP of 7.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol is sourced from PubChem (CID 137052789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).