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

C46H26N4O2 — CID 166502729

IUPAC1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2nc(-c3cccc4cc(-c5cccc6oc7nc8ccccc8cc7c56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-11-27(12-3-1)43-48-44(50-45(49-43)35-18-10-21-39-42(35)34-15-5-7-20-38(34)51-39)33-17-8-14-28-25-29(23-24-31(28)33)32-16-9-22-40-41(32)36-26-30-13-4-6-19-37(30)47-46(36)52-40/h1-26H
InChIKeyDYDOIXKBBYJZBW-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

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

1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 166502729) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
PubChem CID166502729
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2nc(-c3cccc4cc(-c5cccc6oc7nc8ccccc8cc7c56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-11-27(12-3-1)43-48-44(50-45(49-43)35-18-10-21-39-42(35)34-15-5-7-20-38(34)51-39)33-17-8-14-28-25-29(23-24-31(28)33)32-16-9-22-40-41(32)36-26-30-13-4-6-19-37(30)47-46(36)52-40/h1-26H
InChIKeyDYDOIXKBBYJZBW-UHFFFAOYSA-N
XLogP12.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502742
6-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[3,2-b]quinoline
CID 166502658
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2-dibenzofuran-1-yl-4-(6-dibenzofuran-1-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171445645
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165097425
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-dibenzofuran-1-yl-4-phenyl-6-[6-(6-phenyldibenzoselenophen-4-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164943663
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline (CID 166502729) is 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline is c1ccc(-c2nc(-c3cccc4cc(-c5cccc6oc7nc8ccccc8cc7c56)ccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is DYDOIXKBBYJZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-11-27(12-3-1)43-48-44(50-45(49-43)35-18-10-21-39-42(35)34-15-5-7-20-38(34)51-39)33-17-8-14-28-25-29(23-24-31(28)33)32-16-9-22-40-41(32)36-26-30-13-4-6-19-37(30)47-46(36)52-40/h1-26H.
What are the key properties of 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline?
1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 666.74 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 166502729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).