2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine

C61H39N3O — CID 164808678

IUPAC2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C61H39N3O/c1-4-15-40(16-5-1)42-29-33-45(34-30-42)59-62-60(46-35-31-43(32-36-46)48-22-12-21-47(39-48)41-17-6-2-7-18-41)64-61(63-59)55-27-14-28-56-57(55)54-26-13-25-53(58(54)65-56)52-38-37-49(44-19-8-3-9-20-44)50-23-10-11-24-51(50)52/h1-39H
InChIKeyIFLFVANVXOASPJ-UHFFFAOYSA-N
MW830.00 g/mol
LogP16.26
Rot. Bonds8

About 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164808678) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID164808678
Molecular FormulaC61H39N3O
Molecular Weight830.00 g/mol
Exact Mass829.31
IUPAC Name2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C61H39N3O/c1-4-15-40(16-5-1)42-29-33-45(34-30-42)59-62-60(46-35-31-43(32-36-46)48-22-12-21-47(39-48)41-17-6-2-7-18-41)64-61(63-59)55-27-14-28-56-57(55)54-26-13-25-53(58(54)65-56)52-38-37-49(44-19-8-3-9-20-44)50-23-10-11-24-51(50)52/h1-39H
InChIKeyIFLFVANVXOASPJ-UHFFFAOYSA-N
XLogP16.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808464
2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808482
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808431
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 164808214
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808494
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808644

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 164808678) is 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)c8ccccc78)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is IFLFVANVXOASPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-4-15-40(16-5-1)42-29-33-45(34-30-42)59-62-60(46-35-31-43(32-36-46)48-22-12-21-47(39-48)41-17-6-2-7-18-41)64-61(63-59)55-27-14-28-56-57(55)54-26-13-25-53(58(54)65-56)52-38-37-49(44-19-8-3-9-20-44)50-23-10-11-24-51(50)52/h1-39H.
What are the key properties of 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 830.00 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164808678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).