4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline

C47H29N3O — CID 158431383

IUPAC4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)37-22-12-23-39-45(37)50-44(43-38-20-9-10-24-42(38)51-46(39)43)33-27-25-31(26-28-33)36-21-11-18-30-13-7-8-19-35(30)36/h1-29H
InChIKeyFFLGNNUAMMQUIT-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline

4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline (PubChem CID 158431383) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
PubChem CID158431383
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)37-22-12-23-39-45(37)50-44(43-38-20-9-10-24-42(38)51-46(39)43)33-27-25-31(26-28-33)36-21-11-18-30-13-7-8-19-35(30)36/h1-29H
InChIKeyFFLGNNUAMMQUIT-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159893353
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
4-(2,6-diphenylpyrimidin-4-yl)-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 159309562
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226928
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 161214139
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158226926
2-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline;4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline;3-(4,6-diphenylpyrimidin-2-yl)-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline
CID 160689501
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 159778043
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158226927
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 157112850
4-(4,6-diphenylpyrimidin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159819901
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline (CID 158431383) is 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc4c3nc(-c3ccc(-c5cccc6ccccc56)cc3)c3c5ccccc5oc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline?
The InChIKey is FFLGNNUAMMQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-32(15-4-1)40-29-41(49-47(48-40)34-16-5-2-6-17-34)37-22-12-23-39-45(37)50-44(43-38-20-9-10-24-42(38)51-46(39)43)33-27-25-31(26-28-33)36-21-11-18-30-13-7-8-19-35(30)36/h1-29H.
What are the key properties of 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline?
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 158431383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).