2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine

C15H7Cl2N3O — CID 169280034

IUPAC2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c(-c4nc(Cl)nc(Cl)n4)c([2H])c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C15H7Cl2N3O/c16-14-18-13(19-15(17)20-14)10-6-3-5-9-8-4-1-2-7-11(8)21-12(9)10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKeyLYULOEZHJLAQKR-GSNKEKJESA-N
MW323.19 g/mol
LogP4.74
Rot. Bonds1

About 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine

2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 169280034) has the molecular formula C15H7Cl2N3O and a molecular weight of 323.19 g/mol. Its IUPAC name is 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine
PubChem CID169280034
Molecular FormulaC15H7Cl2N3O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c(-c4nc(Cl)nc(Cl)n4)c([2H])c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C15H7Cl2N3O/c16-14-18-13(19-15(17)20-14)10-6-3-5-9-8-4-1-2-7-11(8)21-12(9)10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKeyLYULOEZHJLAQKR-GSNKEKJESA-N
XLogP4.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-chloro-4-(4-phenylphenyl)-6-(6,7,8,9-tetradeuteriodibenzofuran-4-yl)-1,3,5-triazine
CID 168953715
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-(1,2,3,6,7,8,9-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
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-chloro-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(1,3,4,5,6,7,8,9,10-nonadeuterioanthracen-2-yl)-1,3,5-triazine
CID 171598376
1,2,3,4,7,8,9-heptadeuterio-6-[2,3-dideuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 153436613
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
2-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]-1,3,5-triazine
CID 167596744
1,2,3,4,7,8,9-heptadeuterio-6-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167405399
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-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine
CID 171057057
1,2,3,4,6,7,8-heptadeuterio-5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 169280161

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine (CID 169280034) is 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c2c(oc3c(-c4nc(Cl)nc(Cl)n4)c([2H])c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is LYULOEZHJLAQKR-GSNKEKJESA-N. The full InChI is InChI=1S/C15H7Cl2N3O/c16-14-18-13(19-15(17)20-14)10-6-3-5-9-8-4-1-2-7-11(8)21-12(9)10/h1-7H/i1D,2D,3D,4D,5D,6D,7D.
What are the key properties of 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine?
2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 323.19 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 169280034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).