2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

C39H23N3O2 — CID 172512185

IUPAC2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(-c4ccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c32)c1[2H]
InChIInChI=1S/C39H23N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-18-20-29-31-22-26(19-21-33(31)44-35(29)23-27)28-15-9-17-34-36(28)30-14-7-8-16-32(30)43-34/h1-23H/i7D,8D,9D,14D,15D,16D,17D
InChIKeyRIYMHXHCDIBJDH-XWTMVGCNSA-N
MW572.67 g/mol
LogP10.34
Rot. Bonds4

About 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 172512185) has the molecular formula C39H23N3O2 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID172512185
Molecular FormulaC39H23N3O2
Molecular Weight572.67 g/mol
Exact Mass572.22
IUPAC Name2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(-c4ccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c32)c1[2H]
InChIInChI=1S/C39H23N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-18-20-29-31-22-26(19-21-33(31)44-35(29)23-27)28-15-9-17-34-36(28)30-14-7-8-16-32(30)43-34/h1-23H/i7D,8D,9D,14D,15D,16D,17D
InChIKeyRIYMHXHCDIBJDH-XWTMVGCNSA-N
XLogP10.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-[1,2,4,6,7,8-hexadeuterio-9-(4-phenylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 177107375
2-dibenzofuran-3-yl-4-[1,2,4,6,7,8-hexadeuterio-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 177107200
2-(2-dibenzofuran-3-ylphenyl)-4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177107049
2-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-4-(2,3,4,6,7,8-hexadeuterio-5-phenylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731866
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
2-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-4-(2,3,4,5,7,8-hexadeuterio-6-phenylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176767510
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 172512185) is 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is [2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(-c4ccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c32)c1[2H].
What is the InChIKey of 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RIYMHXHCDIBJDH-XWTMVGCNSA-N. The full InChI is InChI=1S/C39H23N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-18-20-29-31-22-26(19-21-33(31)44-35(29)23-27)28-15-9-17-34-36(28)30-14-7-8-16-32(30)43-34/h1-23H/i7D,8D,9D,14D,15D,16D,17D.
What are the key properties of 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 572.67 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 172512185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).