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

C39H23N3O2 — CID 168770429

IUPAC2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c2oc3c([2H])cc([2H])c(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)c3c2c1
InChIInChI=1S/C39H23N3O2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)26-21-22-30-34(23-26)44-33-20-10-17-28(36(30)33)27-16-9-19-32-35(27)29-15-7-8-18-31(29)43-32/h1-23H/i7D,16D,18D,19D
InChIKeyGOKZGCFUHSIANE-SXWDYEMUSA-N
MW569.66 g/mol
LogP10.34
Rot. Bonds4

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

2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 168770429) has the molecular formula C39H23N3O2 and a molecular weight of 569.66 g/mol. Its IUPAC name is 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID168770429
Molecular FormulaC39H23N3O2
Molecular Weight569.66 g/mol
Exact Mass569.20
IUPAC Name2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c2oc3c([2H])cc([2H])c(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)c3c2c1
InChIInChI=1S/C39H23N3O2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)26-21-22-30-34(23-26)44-33-20-10-17-28(36(30)33)27-16-9-19-32-35(27)29-15-7-8-18-31(29)43-32/h1-23H/i7D,16D,18D,19D
InChIKeyGOKZGCFUHSIANE-SXWDYEMUSA-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 ≤ 500569.66
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
2,4-bis(4-phenylphenyl)-6-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797899
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 168770189
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-[9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797878
2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170941859
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine (CID 168770429) is 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine is [2H]c1cc([2H])c2oc3c([2H])cc([2H])c(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)c3c2c1.
What is the InChIKey of 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is GOKZGCFUHSIANE-SXWDYEMUSA-N. The full InChI is InChI=1S/C39H23N3O2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)26-21-22-30-34(23-26)44-33-20-10-17-28(36(30)33)27-16-9-19-32-35(27)29-15-7-8-18-31(29)43-32/h1-23H/i7D,16D,18D,19D.
What are the key properties of 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 569.66 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 2,4-diphenyl-6-[9-(2,4,6,8-tetradeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 168770429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).