2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C45H27N3O2 — CID 170926945

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c2oc3cc(-c4ccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc4)c([2H])c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c2c1
InChIInChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)29-22-24-30(25-23-29)32-26-37(41-35-17-8-10-21-39(35)49-40(41)27-32)45-47-43(31-14-5-2-6-15-31)46-44(48-45)36-19-11-18-34-33-16-7-9-20-38(33)50-42(34)36/h1-27H/i1D,3D,4D,8D,12D,13D,21D,26D
InChIKeyLEKFSIWYKRMPNW-QPKHQSSBSA-N
MW649.78 g/mol
LogP12.01
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 170926945) has the molecular formula C45H27N3O2 and a molecular weight of 649.78 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID170926945
Molecular FormulaC45H27N3O2
Molecular Weight649.78 g/mol
Exact Mass649.26
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c2oc3cc(-c4ccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc4)c([2H])c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c2c1
InChIInChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)29-22-24-30(25-23-29)32-26-37(41-35-17-8-10-21-39(35)49-40(41)27-32)45-47-43(31-14-5-2-6-15-31)46-44(48-45)36-19-11-18-34-33-16-7-9-20-38(33)50-42(34)36/h1-27H/i1D,3D,4D,8D,12D,13D,21D,26D
InChIKeyLEKFSIWYKRMPNW-QPKHQSSBSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.78
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-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-dibenzofuran-4-yl-4-[8-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 168770269
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-(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-1-yl-4-(2,4,6,7,8,9-hexadeuterio-3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112863
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-3-yl-4-[6-(2,3,4,5,6-pentadeuteriophenyl)-8-phenyldibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 171050772
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 170926945) is 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is [2H]c1cc([2H])c2oc3cc(-c4ccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])cc4)c([2H])c(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3c2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is LEKFSIWYKRMPNW-QPKHQSSBSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)29-22-24-30(25-23-29)32-26-37(41-35-17-8-10-21-39(35)49-40(41)27-32)45-47-43(31-14-5-2-6-15-31)46-44(48-45)36-19-11-18-34-33-16-7-9-20-38(33)50-42(34)36/h1-27H/i1D,3D,4D,8D,12D,13D,21D,26D.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 649.78 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-[2,6,8-trideuterio-3-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170926945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).