6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline

C46H28N4O — CID 147586920

IUPAC6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccc(-c6cccc7ccccc67)cc5c5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-14-30(15-4-1)44-48-45(31-16-5-2-6-17-31)50-46(49-44)34-20-11-19-33(27-34)42-41-37-22-9-10-24-40(37)51-43(41)38-28-32(25-26-39(38)47-42)36-23-12-18-29-13-7-8-21-35(29)36/h1-28H
InChIKeyFXNDWUKQJMDIAT-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.81
Rot. Bonds5

About 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (PubChem CID 147586920) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
PubChem CID147586920
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccc(-c6cccc7ccccc67)cc5c5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-14-30(15-4-1)44-48-45(31-16-5-2-6-17-31)50-46(49-44)34-20-11-19-33(27-34)42-41-37-22-9-10-24-40(37)51-43(41)38-28-32(25-26-39(38)47-42)36-23-12-18-29-13-7-8-21-35(29)36/h1-28H
InChIKeyFXNDWUKQJMDIAT-UHFFFAOYSA-N
XLogP11.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline with MolForge

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Related Compounds

6-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163760325
6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018769
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159208393
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 159778043
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171731278
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-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
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline;6-naphthalen-1-yl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 160700548
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159296386
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline (CID 147586920) is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccc(-c6cccc7ccccc67)cc5c5oc6ccccc6c45)c3)n2)cc1.
What is the InChIKey of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is FXNDWUKQJMDIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-3-14-30(15-4-1)44-48-45(31-16-5-2-6-17-31)50-46(49-44)34-20-11-19-33(27-34)42-41-37-22-9-10-24-40(37)51-43(41)38-28-32(25-26-39(38)47-42)36-23-12-18-29-13-7-8-21-35(29)36/h1-28H.
What are the key properties of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline?
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 652.76 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 147586920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).