9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C45H28N4O — CID 165166056

IUPAC9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c23)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)34-20-12-21-37-35-19-10-11-22-39(35)49(42(34)37)33-24-26-40-38(28-33)36-25-23-32(27-41(36)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28H/i1D,4D,5D,13D,14D
InChIKeyMUSQWSVWLUOLSX-IKCIEKSKSA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 165166056) has the molecular formula C45H28N4O and a molecular weight of 645.78 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID165166056
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c23)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)34-20-12-21-37-35-19-10-11-22-39(35)49(42(34)37)33-24-26-40-38(28-33)36-25-23-32(27-41(36)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28H/i1D,4D,5D,13D,14D
InChIKeyMUSQWSVWLUOLSX-IKCIEKSKSA-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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165165809
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614
12-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 165165923
9-[7-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168770415
11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 165165919
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
1-[2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 170191958
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113231
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275252
9-[17-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole
CID 162781384
7-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932811

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 165166056) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c4ccccc4n(-c4ccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c23)c([2H])c1[2H].
What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is MUSQWSVWLUOLSX-IKCIEKSKSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)34-20-12-21-37-35-19-10-11-22-39(35)49(42(34)37)33-24-26-40-38(28-33)36-25-23-32(27-41(36)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28H/i1D,4D,5D,13D,14D.
What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 165166056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).