1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole

C57H36N4S — CID 177275564

IUPAC1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccccc3-c3ccccc3)c1n2-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C57H36N4S/c1-3-15-38(16-4-1)44-21-7-8-22-45(44)49-25-14-26-50-46-23-9-11-27-51(46)61(54(49)50)43-32-29-37(30-33-43)40-19-13-20-41(35-40)56-58-55(39-17-5-2-6-18-39)59-57(60-56)42-31-34-48-47-24-10-12-28-52(47)62-53(48)36-42/h1-36H/i9D,11D,23D,27D
InChIKeySUBRYNYLXHEBLU-ALFJVDNSSA-N
MW813.03 g/mol
LogP15.34
Rot. Bonds7

About 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole

1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole (PubChem CID 177275564) has the molecular formula C57H36N4S and a molecular weight of 813.03 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole
PubChem CID177275564
Molecular FormulaC57H36N4S
Molecular Weight813.03 g/mol
Exact Mass812.29
IUPAC Name1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccccc3-c3ccccc3)c1n2-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C57H36N4S/c1-3-15-38(16-4-1)44-21-7-8-22-45(44)49-25-14-26-50-46-23-9-11-27-51(46)61(54(49)50)43-32-29-37(30-33-43)40-19-13-20-41(35-40)56-58-55(39-17-5-2-6-18-39)59-57(60-56)42-31-34-48-47-24-10-12-28-52(47)62-53(48)36-42/h1-36H/i9D,11D,23D,27D
InChIKeySUBRYNYLXHEBLU-ALFJVDNSSA-N
XLogP15.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.03
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole with MolForge

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Related Compounds

1,2,3,4-tetradeuterio-9-[4-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275240
1,2,3,4-tetradeuterio-8-(4-phenylphenyl)-9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275493
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(2-phenylphenyl)phenyl]carbazole
CID 176849716
1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275570
1,2,3,4-tetradeuterio-9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)carbazole
CID 177275231
1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275219
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176849733
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
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
1,2,3,4-tetradeuterio-8-(3,5-diphenylphenyl)-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275370

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole (CID 177275564) is 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccccc3-c3ccccc3)c1n2-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole?
The InChIKey is SUBRYNYLXHEBLU-ALFJVDNSSA-N. The full InChI is InChI=1S/C57H36N4S/c1-3-15-38(16-4-1)44-21-7-8-22-45(44)49-25-14-26-50-46-23-9-11-27-51(46)61(54(49)50)43-32-29-37(30-33-43)40-19-13-20-41(35-40)56-58-55(39-17-5-2-6-18-39)59-57(60-56)42-31-34-48-47-24-10-12-28-52(47)62-53(48)36-42/h1-36H/i9D,11D,23D,27D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole?
1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole has a molecular weight of 813.03 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[4-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2-phenylphenyl)carbazole is sourced from PubChem (CID 177275564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).