3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline

C31H21N3 — CID 58462308

IUPAC3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1
InChIInChI=1S/C31H21N3/c1-3-9-23(10-4-1)29-20-30(24-11-5-2-6-12-24)34-31(33-29)25-17-15-22(16-18-25)27-19-26-13-7-8-14-28(26)32-21-27/h1-21H
InChIKeyDZOIXXGAHJLMAP-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.69
Rot. Bonds4

About 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline

3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline (PubChem CID 58462308) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
PubChem CID58462308
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1
InChIInChI=1S/C31H21N3/c1-3-9-23(10-4-1)29-20-30(24-11-5-2-6-12-24)34-31(33-29)25-17-15-22(16-18-25)27-19-26-13-7-8-14-28(26)32-21-27/h1-21H
InChIKeyDZOIXXGAHJLMAP-UHFFFAOYSA-N
XLogP7.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 121402286
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]quinoline
CID 169294630
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 163490932
3-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]quinoline
CID 58462269
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 161138010
3-[4-[4-phenyl-6-[11-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165151053

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
The IUPAC name of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline (CID 58462308) is 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline.
What is the SMILES notation for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
The canonical SMILES for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cnc5ccccc5c4)cc3)n2)cc1.
What is the InChIKey of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
The InChIKey is DZOIXXGAHJLMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-3-9-23(10-4-1)29-20-30(24-11-5-2-6-12-24)34-31(33-29)25-17-15-22(16-18-25)27-19-26-13-7-8-14-28(26)32-21-27/h1-21H.
What are the key properties of 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline has a molecular weight of 435.53 g/mol, XLogP of 7.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline is sourced from PubChem (CID 58462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).