9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole

C45H28N4O — CID 168769775

IUPAC9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-n6c7ccccc7c7ccccc76)c45)n3)c2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)31-18-11-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)36-23-12-22-35-41-39(26-13-27-40(41)50-42(35)36)49-37-24-9-7-20-33(37)34-21-8-10-25-38(34)49/h1-28H/i1D,3D,4D,14D,15D
InChIKeyXQOIEJRRLXLOOF-PHQJSJDESA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

About 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole

9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 168769775) has the molecular formula C45H28N4O and a molecular weight of 645.78 g/mol. Its IUPAC name is 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
PubChem CID168769775
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-n6c7ccccc7c7ccccc76)c45)n3)c2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)31-18-11-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)36-23-12-22-35-41-39(26-13-27-40(41)50-42(35)36)49-37-24-9-7-20-33(37)34-21-8-10-25-38(34)49/h1-28H/i1D,3D,4D,14D,15D
InChIKeyXQOIEJRRLXLOOF-PHQJSJDESA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.78
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168770543
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168769745
9-[6-[4-dibenzothiophen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 157149813
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 168770621
9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole
CID 164834991
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495889
9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 168770491
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
9-[4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770059
3-[4-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171050621
9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172516347
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (CID 168769775) is 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4cccc(-n6c7ccccc7c7ccccc76)c45)n3)c2)c([2H])c1[2H].
What is the InChIKey of 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is XQOIEJRRLXLOOF-PHQJSJDESA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-14-29(15-4-1)31-18-11-19-32(28-31)44-46-43(30-16-5-2-6-17-30)47-45(48-44)36-23-12-22-35-41-39(26-13-27-40(41)50-42(35)36)49-37-24-9-7-20-33(37)34-21-8-10-25-38(34)49/h1-28H/i1D,3D,4D,14D,15D.
What are the key properties of 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 645.78 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 168769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).