10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline

C46H28N4O — CID 166502717

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c3c(c2)oc2cc4ccncc4cc23)cc1
InChIInChI=1S/C46H28N4O/c1-4-12-29(13-5-1)33-24-39(43-40-25-34-28-47-23-22-32(34)26-41(40)51-42(43)27-33)37-20-21-38(36-19-11-10-18-35(36)37)46-49-44(30-14-6-2-7-15-30)48-45(50-46)31-16-8-3-9-17-31/h1-28H
InChIKeyTXIATCBPXCPUGL-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.81
Rot. Bonds5

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166502717) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166502717
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c3c(c2)oc2cc4ccncc4cc23)cc1
InChIInChI=1S/C46H28N4O/c1-4-12-29(13-5-1)33-24-39(43-40-25-34-28-47-23-22-32(34)26-41(40)51-42(43)27-33)37-20-21-38(36-19-11-10-18-35(36)37)46-49-44(30-14-6-2-7-15-30)48-45(50-46)31-16-8-3-9-17-31/h1-28H
InChIKeyTXIATCBPXCPUGL-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

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Related Compounds

7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 168785581
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167402160
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502343
2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 171757190
7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
CID 166502646
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 167402011

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline (CID 166502717) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline is c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c3c(c2)oc2cc4ccncc4cc23)cc1.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is TXIATCBPXCPUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-4-12-29(13-5-1)33-24-39(43-40-25-34-28-47-23-22-32(34)26-41(40)51-42(43)27-33)37-20-21-38(36-19-11-10-18-35(36)37)46-49-44(30-14-6-2-7-15-30)48-45(50-46)31-16-8-3-9-17-31/h1-28H.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline 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 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166502717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).