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

C47H29N3O — CID 155480997

IUPAC2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C47H29N3O/c1-3-12-34-28-36(26-22-30(34)10-1)32-20-24-33(25-21-32)45-48-46(41-16-6-5-14-38(41)37-27-23-31-11-2-4-13-35(31)29-37)50-47(49-45)42-18-9-17-40-39-15-7-8-19-43(39)51-44(40)42/h1-29H
InChIKeySMJRXBRXCCCSKR-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 155480997) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID155480997
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C47H29N3O/c1-3-12-34-28-36(26-22-30(34)10-1)32-20-24-33(25-21-32)45-48-46(41-16-6-5-14-38(41)37-27-23-31-11-2-4-13-35(31)29-37)50-47(49-45)42-18-9-17-40-39-15-7-8-19-43(39)51-44(40)42/h1-29H
InChIKeySMJRXBRXCCCSKR-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-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
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-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
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-(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-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545450
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 155480997) is 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is SMJRXBRXCCCSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-34-28-36(26-22-30(34)10-1)32-20-24-33(25-21-32)45-48-46(41-16-6-5-14-38(41)37-27-23-31-11-2-4-13-35(31)29-37)50-47(49-45)42-18-9-17-40-39-15-7-8-19-43(39)51-44(40)42/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-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-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155480997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).