2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine

C125H77N9O3 — CID 164978323

IUPAC2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6ccccc6cc5-c5cccc6oc7ccccc7c56)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)n2)cc1
InChIInChI=1S/C47H29N3O.C41H25N3O.C37H23N3O/c1-3-12-30(13-4-1)45-48-46(31-14-5-2-6-15-31)50-47(49-45)37-25-23-34-26-36(24-22-35(34)27-37)40-28-32-16-7-8-17-33(32)29-41(40)38-19-11-21-43-44(38)39-18-9-10-20-42(39)51-43;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)30-24-29-23-22-26-12-7-8-17-31(26)37(29)34(25-30)32-19-11-21-36-38(32)33-18-9-10-20-35(33)45-36;1-3-12-24(13-4-1)35-38-36(25-14-5-2-6-15-25)40-37(39-35)30-21-10-17-26-27(18-9-19-28(26)30)29-20-11-23-33-34(29)31-16-7-8-22-32(31)41-33/h1-29H;1-25H;1-23H
InChIKeyFCNDRUQRVJEPBF-UHFFFAOYSA-N
MW1753.05 g/mol
LogP32.75
Rot. Bonds13

About 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 164978323) has the molecular formula C125H77N9O3 and a molecular weight of 1753.05 g/mol. Its IUPAC name is 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID164978323
Molecular FormulaC125H77N9O3
Molecular Weight1753.05 g/mol
Exact Mass1751.61
IUPAC Name2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6ccccc6cc5-c5cccc6oc7ccccc7c56)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)n2)cc1
InChIInChI=1S/C47H29N3O.C41H25N3O.C37H23N3O/c1-3-12-30(13-4-1)45-48-46(31-14-5-2-6-15-31)50-47(49-45)37-25-23-34-26-36(24-22-35(34)27-37)40-28-32-16-7-8-17-33(32)29-41(40)38-19-11-21-43-44(38)39-18-9-10-20-42(39)51-43;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)30-24-29-23-22-26-12-7-8-17-31(26)37(29)34(25-30)32-19-11-21-36-38(32)33-18-9-10-20-35(33)45-36;1-3-12-24(13-4-1)35-38-36(25-14-5-2-6-15-25)40-37(39-35)30-21-10-17-26-27(18-9-19-28(26)30)29-20-11-23-33-34(29)31-16-7-8-22-32(31)41-33/h1-29H;1-25H;1-23H
InChIKeyFCNDRUQRVJEPBF-UHFFFAOYSA-N
XLogP32.75
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001753.05
LogP ≤ 532.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164747860
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2-[3-(3-dibenzofuran-1-yl-4-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439520
2-naphthalen-2-yl-4-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167182694
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen
CID 163951650
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 164978323) is 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(ccc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6ccccc6cc5-c5cccc6oc7ccccc7c56)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5cccc6oc7ccccc7c56)cccc34)n2)cc1.
What is the InChIKey of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FCNDRUQRVJEPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O.C41H25N3O.C37H23N3O/c1-3-12-30(13-4-1)45-48-46(31-14-5-2-6-15-31)50-47(49-45)37-25-23-34-26-36(24-22-35(34)27-37)40-28-32-16-7-8-17-33(32)29-41(40)38-19-11-21-43-44(38)39-18-9-10-20-42(39)51-43;1-3-13-27(14-4-1)39-42-40(28-15-5-2-6-16-28)44-41(43-39)30-24-29-23-22-26-12-7-8-17-31(26)37(29)34(25-30)32-19-11-21-36-38(32)33-18-9-10-20-35(33)45-36;1-3-12-24(13-4-1)35-38-36(25-14-5-2-6-15-25)40-37(39-35)30-21-10-17-26-27(18-9-19-28(26)30)29-20-11-23-33-34(29)31-16-7-8-22-32(31)41-33/h1-29H;1-25H;1-23H.
What are the key properties of 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1753.05 g/mol, XLogP of 32.75, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164978323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).