2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

C47H29N3O — CID 172545450

IUPAC2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-14-31(15-3-1)45-48-46(41-21-9-8-19-37(41)39-22-12-23-40-38-20-10-11-24-43(38)51-44(39)40)50-47(49-45)42-28-27-34(35-17-6-7-18-36(35)42)33-26-25-30-13-4-5-16-32(30)29-33/h1-29H
InChIKeyMMVSXRMYTAWNKM-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine

2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 172545450) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID172545450
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-2-14-31(15-3-1)45-48-46(41-21-9-8-19-37(41)39-22-12-23-40-38-20-10-11-24-43(38)51-44(39)40)50-47(49-45)42-28-27-34(35-17-6-7-18-36(35)42)33-26-25-30-13-4-5-16-32(30)29-33/h1-29H
InChIKeyMMVSXRMYTAWNKM-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 172545450) is 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is MMVSXRMYTAWNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-14-31(15-3-1)45-48-46(41-21-9-8-19-37(41)39-22-12-23-40-38-20-10-11-24-43(38)51-44(39)40)50-47(49-45)42-28-27-34(35-17-6-7-18-36(35)42)33-26-25-30-13-4-5-16-32(30)29-33/h1-29H.
What are the key properties of 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 172545450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).