2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine

C55H35N3O — CID 164797601

IUPAC2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(-c6ccccc6)cccc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-12-36(13-5-1)38-22-26-41(27-23-38)48-20-11-21-50-52(48)49-33-31-45(35-51(49)59-50)55-57-53(42-28-24-39(25-29-42)37-14-6-2-7-15-37)56-54(58-55)44-30-32-47-43(34-44)18-10-19-46(47)40-16-8-3-9-17-40/h1-35H
InChIKeyAEKRXLPXEMKRCS-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.59
Rot. Bonds7

About 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine

2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 164797601) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID164797601
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(-c6ccccc6)cccc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-12-36(13-5-1)38-22-26-41(27-23-38)48-20-11-21-50-52(48)49-33-31-45(35-51(49)59-50)55-57-53(42-28-24-39(25-29-42)37-14-6-2-7-15-37)56-54(58-55)44-30-32-47-43(34-44)18-10-19-46(47)40-16-8-3-9-17-40/h1-35H
InChIKeyAEKRXLPXEMKRCS-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-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797611
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 164797601) is 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(-c6ccccc6)cccc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cc2)cc1.
What is the InChIKey of 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is AEKRXLPXEMKRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-12-36(13-5-1)38-22-26-41(27-23-38)48-20-11-21-50-52(48)49-33-31-45(35-51(49)59-50)55-57-53(42-28-24-39(25-29-42)37-14-6-2-7-15-37)56-54(58-55)44-30-32-47-43(34-44)18-10-19-46(47)40-16-8-3-9-17-40/h1-35H.
What are the key properties of 2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-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-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 164797601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).