2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

C52H33N3O2 — CID 169281810

IUPAC2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILES[2H]C1([2H])Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)cc3)c2-c2ccccc21
InChIInChI=1S/C52H33N3O2/c1-2-11-33(12-3-1)34-23-27-36(28-24-34)50-53-51(37-29-25-35(26-30-37)41-18-10-22-47-48(41)42-16-5-4-13-40(42)32-56-47)55-52(54-50)39-15-8-14-38(31-39)43-19-9-20-45-44-17-6-7-21-46(44)57-49(43)45/h1-31H,32H2/i32D2
InChIKeyVWNJXDPTXIFKJA-XTJIRHDTSA-N
MW733.87 g/mol
LogP13.33
Rot. Bonds6

About 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169281810) has the molecular formula C52H33N3O2 and a molecular weight of 733.87 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID169281810
Molecular FormulaC52H33N3O2
Molecular Weight733.87 g/mol
Exact Mass733.27
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILES[2H]C1([2H])Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)cc3)c2-c2ccccc21
InChIInChI=1S/C52H33N3O2/c1-2-11-33(12-3-1)34-23-27-36(28-24-34)50-53-51(37-29-25-35(26-30-37)41-18-10-22-47-48(41)42-16-5-4-13-40(42)32-56-47)55-52(54-50)39-15-8-14-38(31-39)43-19-9-20-45-44-17-6-7-21-46(44)57-49(43)45/h1-31H,32H2/i32D2
InChIKeyVWNJXDPTXIFKJA-XTJIRHDTSA-N
XLogP13.33
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.87
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6H-benzo[c]chromen-1-yl)-4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169281785
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146431469
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-dibenzofuran-4-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723720
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 169281810) is 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is [2H]C1([2H])Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)cc3)c2-c2ccccc21.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is VWNJXDPTXIFKJA-XTJIRHDTSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-2-11-33(12-3-1)34-23-27-36(28-24-34)50-53-51(37-29-25-35(26-30-37)41-18-10-22-47-48(41)42-16-5-4-13-40(42)32-56-47)55-52(54-50)39-15-8-14-38(31-39)43-19-9-20-45-44-17-6-7-21-46(44)57-49(43)45/h1-31H,32H2/i32D2.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 733.87 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169281810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).