2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

C51H31N3O2 — CID 170520613

IUPAC2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(oc6c(-c7cccc8c7oc7ccccc78)cccc65)c4[2H])n3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)34-24-26-35(27-25-34)49-52-50(37-17-9-16-36(30-37)33-14-5-2-6-15-33)54-51(53-49)38-28-29-40-42-20-11-22-44(48(42)56-46(40)31-38)43-21-10-19-41-39-18-7-8-23-45(39)55-47(41)43/h1-31H/i2D,5D,6D,9D,14D,15D,16D,17D,30D,31D
InChIKeyCAXSBPUTBXISKX-MMHGQPLFSA-N
MW727.89 g/mol
LogP13.67
Rot. Bonds6

About 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 170520613) has the molecular formula C51H31N3O2 and a molecular weight of 727.89 g/mol. Its IUPAC name is 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID170520613
Molecular FormulaC51H31N3O2
Molecular Weight727.89 g/mol
Exact Mass727.30
IUPAC Name2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(oc6c(-c7cccc8c7oc7ccccc78)cccc65)c4[2H])n3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)34-24-26-35(27-25-34)49-52-50(37-17-9-16-36(30-37)33-14-5-2-6-15-33)54-51(53-49)38-28-29-40-42-20-11-22-44(48(42)56-46(40)31-38)43-21-10-19-41-39-18-7-8-23-45(39)55-47(41)43/h1-31H/i2D,5D,6D,9D,14D,15D,16D,17D,30D,31D
InChIKeyCAXSBPUTBXISKX-MMHGQPLFSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.89
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769914
2-dibenzofuran-4-yl-4-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 168770330
2-dibenzofuran-3-yl-4-[1,2,4,7,8,9-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168749025
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168770032
2-dibenzofuran-3-yl-4-[1,2,3,6,7,9-hexadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168748860
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 168770647
2-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168770038
2-dibenzofuran-4-yl-4-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 140946634
2-(3-dibenzofuran-4-ylphenyl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170691026
2-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168769980
2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 168769976
2-dibenzofuran-4-yl-4-[8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 168770269

Frequently Asked Questions

What is the IUPAC name of 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (CID 170520613) is 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(oc6c(-c7cccc8c7oc7ccccc78)cccc65)c4[2H])n3)c2[2H])c([2H])c1[2H].
What is the InChIKey of 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is CAXSBPUTBXISKX-MMHGQPLFSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)34-24-26-35(27-25-34)49-52-50(37-17-9-16-36(30-37)33-14-5-2-6-15-33)54-51(53-49)38-28-29-40-42-20-11-22-44(48(42)56-46(40)31-38)43-21-10-19-41-39-18-7-8-23-45(39)55-47(41)43/h1-31H/i2D,5D,6D,9D,14D,15D,16D,17D,30D,31D.
What are the key properties of 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 727.89 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-deuterio-6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170520613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).