8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline

C47H31N3 — CID 121402321

IUPAC8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7cccnc67)cc5)c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-11-35(12-4-1)44-31-45(50-47(49-44)38-13-5-2-6-14-38)36-26-24-33(25-27-36)40-29-28-39(42-17-7-8-18-43(40)42)32-20-22-34(23-21-32)41-19-9-15-37-16-10-30-48-46(37)41/h1-31H
InChIKeyOOUVGEYYBHJSIP-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline

8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline (PubChem CID 121402321) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
PubChem CID121402321
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7cccnc67)cc5)c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-11-35(12-4-1)44-31-45(50-47(49-44)38-13-5-2-6-14-38)36-26-24-33(25-27-36)40-29-28-39(42-17-7-8-18-43(40)42)32-20-22-34(23-21-32)41-19-9-15-37-16-10-30-48-46(37)41/h1-31H
InChIKeyOOUVGEYYBHJSIP-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
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-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
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-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988
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
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
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
3-[4-[4-(4-fluoranthen-3-ylphenyl)-6-(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-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 130271409
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
CID 137052789
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline (CID 121402321) is 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7cccnc67)cc5)c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
The InChIKey is OOUVGEYYBHJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-11-35(12-4-1)44-31-45(50-47(49-44)38-13-5-2-6-14-38)36-26-24-33(25-27-36)40-29-28-39(42-17-7-8-18-43(40)42)32-20-22-34(23-21-32)41-19-9-15-37-16-10-30-48-46(37)41/h1-31H.
What are the key properties of 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline?
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline is sourced from PubChem (CID 121402321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).