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

C55H35N3O — CID 164808319

IUPAC2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-14-36(15-5-1)38-28-32-41(33-29-38)44-21-11-25-48-51-49(26-13-27-50(51)59-52(44)48)55-57-53(42-34-30-39(31-35-42)37-16-6-2-7-17-37)56-54(58-55)47-24-12-22-45-43(20-10-23-46(45)47)40-18-8-3-9-19-40/h1-35H
InChIKeyUURSAIIWTPLFCD-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.59
Rot. Bonds7

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

2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 164808319) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID164808319
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-14-36(15-5-1)38-28-32-41(33-29-38)44-21-11-25-48-51-49(26-13-27-50(51)59-52(44)48)55-57-53(42-34-30-39(31-35-42)37-16-6-2-7-17-37)56-54(58-55)47-24-12-22-45-43(20-10-23-46(45)47)40-18-8-3-9-19-40/h1-35H
InChIKeyUURSAIIWTPLFCD-UHFFFAOYSA-N
XLogP14.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808494
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-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808539
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808678
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 164808319) is 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is UURSAIIWTPLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-14-36(15-5-1)38-28-32-41(33-29-38)44-21-11-25-48-51-49(26-13-27-50(51)59-52(44)48)55-57-53(42-34-30-39(31-35-42)37-16-6-2-7-17-37)56-54(58-55)47-24-12-22-45-43(20-10-23-46(45)47)40-18-8-3-9-19-40/h1-35H.
What are the key properties of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 753.91 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 164808319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).