2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

C45H29N3O — CID 168748982

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c([2H])c(-c3c([2H])c([2H])c([2H])c4c3oc3c([2H])c([2H])c([2H])c([2H])c34)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C45H29N3O/c1-4-13-30(14-5-1)32-23-25-34(26-24-32)44-46-43(33-17-8-3-9-18-33)47-45(48-44)37-28-35(31-15-6-2-7-16-31)27-36(29-37)38-20-12-21-40-39-19-10-11-22-41(39)49-42(38)40/h1-29H/i2D,6D,7D,10D,11D,12D,15D,16D,19D,20D,21D,22D,27D,28D,29D
InChIKeyZWWBSSYQLVRSAP-PAANJBASSA-N
MW642.84 g/mol
LogP11.77
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 168748982) has the molecular formula C45H29N3O and a molecular weight of 642.84 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID168748982
Molecular FormulaC45H29N3O
Molecular Weight642.84 g/mol
Exact Mass642.33
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c([2H])c(-c3c([2H])c([2H])c([2H])c4c3oc3c([2H])c([2H])c([2H])c([2H])c34)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C45H29N3O/c1-4-13-30(14-5-1)32-23-25-34(26-24-32)44-46-43(33-17-8-3-9-18-33)47-45(48-44)37-28-35(31-15-6-2-7-16-31)27-36(29-37)38-20-12-21-40-39-19-10-11-22-41(39)49-42(38)40/h1-29H/i2D,6D,7D,10D,11D,12D,15D,16D,19D,20D,21D,22D,27D,28D,29D
InChIKeyZWWBSSYQLVRSAP-PAANJBASSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.84
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168749068
2-[1,2,3,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168748964
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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 169279980
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-(1,4,7,8,9-pentadeuterio-6-phenyldibenzofuran-2-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171588021
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
2-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 169280043
1,2,3,4,7,8,9-heptadeuterio-6-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167405399
2-[1,2,4,7,8,9-hexadeuterio-6-[1,3,6,7,8,9-hexadeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170514636
triphenyl-[4-[4-[2,3,4,6-tetradeuterio-5-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176722325
2-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168770038

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (CID 168748982) is 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c([2H])c(-c3c([2H])c([2H])c([2H])c4c3oc3c([2H])c([2H])c([2H])c([2H])c34)c2[2H])c([2H])c1[2H].
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is ZWWBSSYQLVRSAP-PAANJBASSA-N. The full InChI is InChI=1S/C45H29N3O/c1-4-13-30(14-5-1)32-23-25-34(26-24-32)44-46-43(33-17-8-3-9-18-33)47-45(48-44)37-28-35(31-15-6-2-7-16-31)27-36(29-37)38-20-12-21-40-39-19-10-11-22-41(39)49-42(38)40/h1-29H/i2D,6D,7D,10D,11D,12D,15D,16D,19D,20D,21D,22D,27D,28D,29D.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 642.84 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[2,4,6-trideuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168748982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).