10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline

C46H26N4O2 — CID 166502514

IUPAC10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5oc6cc7cccnc7cc6c45)cc4ccccc34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-10-27(11-3-1)44-48-45(30-19-20-35-34-15-6-7-17-39(34)51-41(35)25-30)50-46(49-44)36-23-31(22-28-12-4-5-14-32(28)36)33-16-8-18-40-43(33)37-26-38-29(13-9-21-47-38)24-42(37)52-40/h1-26H
InChIKeyVTBRFDCMKFZIDJ-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

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

10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline (PubChem CID 166502514) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline.

Molecular Properties

Compound Name10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
PubChem CID166502514
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5oc6cc7cccnc7cc6c45)cc4ccccc34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-10-27(11-3-1)44-48-45(30-19-20-35-34-15-6-7-17-39(34)51-41(35)25-30)50-46(49-44)36-23-31(22-28-12-4-5-14-32(28)36)33-16-8-18-40-43(33)37-26-38-29(13-9-21-47-38)24-42(37)52-40/h1-26H
InChIKeyVTBRFDCMKFZIDJ-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 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline with MolForge

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Related Compounds

10-[3-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]quinoline;10-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline;10-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 167554132
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
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502591
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502716
8-dibenzofuran-4-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167558776
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
CID 163605494
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-dibenzofuran-3-yl-4-[3-(8-phenyl-9H-fluoren-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549223
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 165025944
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
CID 154949982
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730911

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
The IUPAC name of 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline (CID 166502514) is 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline.
What is the SMILES notation for 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
The canonical SMILES for 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4cccc5oc6cc7cccnc7cc6c45)cc4ccccc34)n2)cc1.
What is the InChIKey of 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
The InChIKey is VTBRFDCMKFZIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-10-27(11-3-1)44-48-45(30-19-20-35-34-15-6-7-17-39(34)51-41(35)25-30)50-46(49-44)36-23-31(22-28-12-4-5-14-32(28)36)33-16-8-18-40-43(33)37-26-38-29(13-9-21-47-38)24-42(37)52-40/h1-26H.
What are the key properties of 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]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 10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline is sourced from PubChem (CID 166502514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).