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

C55H35N3O — CID 164808494

IUPAC2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cccc5oc6c(-c7ccccc7-c7ccccc7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-16-36(17-5-1)37-32-34-40(35-33-37)53-56-54(47-28-13-25-43-42(24-12-26-45(43)47)39-20-8-3-9-21-39)58-55(57-53)49-30-15-31-50-51(49)48-29-14-27-46(52(48)59-50)44-23-11-10-22-41(44)38-18-6-2-7-19-38/h1-35H
InChIKeyBBHMABWDOBRZND-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.59
Rot. Bonds7

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

2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 164808494) 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-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID164808494
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cccc5oc6c(-c7ccccc7-c7ccccc7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-16-36(17-5-1)37-32-34-40(35-33-37)53-56-54(47-28-13-25-43-42(24-12-26-45(43)47)39-20-8-3-9-21-39)58-55(57-53)49-30-15-31-50-51(49)48-29-14-27-46(52(48)59-50)44-23-11-10-22-41(44)38-18-6-2-7-19-38/h1-35H
InChIKeyBBHMABWDOBRZND-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-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808339
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-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808678
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
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-(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-[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

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 164808494) is 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5c(-c6ccccc6)cccc45)nc(-c4cccc5oc6c(-c7ccccc7-c7ccccc7)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is BBHMABWDOBRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-16-36(17-5-1)37-32-34-40(35-33-37)53-56-54(47-28-13-25-43-42(24-12-26-45(43)47)39-20-8-3-9-21-39)58-55(57-53)49-30-15-31-50-51(49)48-29-14-27-46(52(48)59-50)44-23-11-10-22-41(44)38-18-6-2-7-19-38/h1-35H.
What are the key properties of 2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-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-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 164808494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).