2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine

C55H33N3OS — CID 172509581

IUPAC2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)c(-c6ccc7c(c6)oc6ccccc67)c5)n4)cccc3c2)cc1
InChIInChI=1S/C55H33N3OS/c1-3-12-34(13-4-1)36-22-26-41-37(30-36)16-11-19-47(41)55-57-53(35-14-5-2-6-15-35)56-54(58-55)40-25-27-42(39-24-29-46-45-18-8-10-21-51(45)60-52(46)33-39)48(31-40)38-23-28-44-43-17-7-9-20-49(43)59-50(44)32-38/h1-33H
InChIKeyITXHZNYNDIUDRV-UHFFFAOYSA-N
MW783.96 g/mol
LogP15.29
Rot. Bonds6

About 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine

2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 172509581) has the molecular formula C55H33N3OS and a molecular weight of 783.96 g/mol. Its IUPAC name is 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID172509581
Molecular FormulaC55H33N3OS
Molecular Weight783.96 g/mol
Exact Mass783.23
IUPAC Name2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)c(-c6ccc7c(c6)oc6ccccc67)c5)n4)cccc3c2)cc1
InChIInChI=1S/C55H33N3OS/c1-3-12-34(13-4-1)36-22-26-41-37(30-36)16-11-19-47(41)55-57-53(35-14-5-2-6-15-35)56-54(58-55)40-25-27-42(39-24-29-46-45-18-8-10-21-51(45)60-52(46)33-39)48(31-40)38-23-28-44-43-17-7-9-20-49(43)59-50(44)32-38/h1-33H
InChIKeyITXHZNYNDIUDRV-UHFFFAOYSA-N
XLogP15.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.96
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402609
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548
2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168730357
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171414774
2-dibenzofuran-3-yl-4-[6-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192733
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 171414981
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-[7-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192387

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 172509581) is 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)sc6ccccc67)c(-c6ccc7c(c6)oc6ccccc67)c5)n4)cccc3c2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is ITXHZNYNDIUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3OS/c1-3-12-34(13-4-1)36-22-26-41-37(30-36)16-11-19-47(41)55-57-53(35-14-5-2-6-15-35)56-54(58-55)40-25-27-42(39-24-29-46-45-18-8-10-21-51(45)60-52(46)33-39)48(31-40)38-23-28-44-43-17-7-9-20-49(43)59-50(44)32-38/h1-33H.
What are the key properties of 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 783.96 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 172509581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).