8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline

C31H21N3 — CID 58462299

IUPAC8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1
InChIInChI=1S/C31H21N3/c1-3-9-23(10-4-1)28-21-29(24-11-5-2-6-12-24)34-31(33-28)26-18-16-22(17-19-26)27-15-7-13-25-14-8-20-32-30(25)27/h1-21H
InChIKeyZDVZAVICXKRTNS-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.69
Rot. Bonds4

About 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline

8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline (PubChem CID 58462299) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
PubChem CID58462299
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1
InChIInChI=1S/C31H21N3/c1-3-9-23(10-4-1)28-21-29(24-11-5-2-6-12-24)34-31(33-28)26-18-16-22(17-19-26)27-15-7-13-25-14-8-20-32-30(25)27/h1-21H
InChIKeyZDVZAVICXKRTNS-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

8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
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
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
mercury;8-phenylquinoline;hydrate
CID 174770535
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155603380
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
CID 137052789
8-[4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]quinoline
CID 146547877
8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 58322624
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
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 126544539

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
The IUPAC name of 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline (CID 58462299) is 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline.
What is the SMILES notation for 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
The canonical SMILES for 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.
What is the InChIKey of 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
The InChIKey is ZDVZAVICXKRTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-3-9-23(10-4-1)28-21-29(24-11-5-2-6-12-24)34-31(33-28)26-18-16-22(17-19-26)27-15-7-13-25-14-8-20-32-30(25)27/h1-21H.
What are the key properties of 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline?
8-[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 8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline is sourced from PubChem (CID 58462299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).