3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline

C47H31N3 — CID 121402286

IUPAC3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccc(-c6ccc(-c7cnc8ccccc8c7)cc6)cc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-10-36(11-4-1)45-30-46(50-47(49-45)38-12-5-2-6-13-38)37-25-22-35(23-26-37)42-16-9-15-34-24-27-39(29-43(34)42)32-18-20-33(21-19-32)41-28-40-14-7-8-17-44(40)48-31-41/h1-31H
InChIKeyXFKSJVRDYDYMHU-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline

3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline (PubChem CID 121402286) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
PubChem CID121402286
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccc(-c6ccc(-c7cnc8ccccc8c7)cc6)cc45)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-3-10-36(11-4-1)45-30-46(50-47(49-45)38-12-5-2-6-13-38)37-25-22-35(23-26-37)42-16-9-15-34-24-27-39(29-43(34)42)32-18-20-33(21-19-32)41-28-40-14-7-8-17-44(40)48-31-41/h1-31H
InChIKeyXFKSJVRDYDYMHU-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

3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
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-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161219617
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
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-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771

Frequently Asked Questions

What is the IUPAC name of 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline?
The IUPAC name of 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline (CID 121402286) is 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline?
The canonical SMILES for 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5ccc(-c6ccc(-c7cnc8ccccc8c7)cc6)cc45)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline?
The InChIKey is XFKSJVRDYDYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-10-36(11-4-1)45-30-46(50-47(49-45)38-12-5-2-6-13-38)37-25-22-35(23-26-37)42-16-9-15-34-24-27-39(29-43(34)42)32-18-20-33(21-19-32)41-28-40-14-7-8-17-44(40)48-31-41/h1-31H.
What are the key properties of 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline?
3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-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 3-[4-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline is sourced from PubChem (CID 121402286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).