1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C57H36N4S — CID 177292313

IUPAC1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc(-c3cccc4sc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c([2H])c1[2H]
InChIInChI=1S/C57H36N4S/c1-4-16-37(17-5-1)40-22-14-23-43(34-40)56-58-55(39-20-8-3-9-21-39)59-57(60-56)48-36-42(44-26-15-29-53-54(44)46-25-11-13-28-52(46)62-53)31-33-51(48)61-49-27-12-10-24-45(49)47-35-41(30-32-50(47)61)38-18-6-2-7-19-38/h1-36H/i2D,6D,7D,10D,12D,18D,19D,24D,27D,30D,32D,35D
InChIKeyZWZMEAXTGQOSAG-MTCYDLJDSA-N
MW821.08 g/mol
LogP15.34
Rot. Bonds7

About 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 177292313) has the molecular formula C57H36N4S and a molecular weight of 821.08 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID177292313
Molecular FormulaC57H36N4S
Molecular Weight821.08 g/mol
Exact Mass820.34
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc(-c3cccc4sc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c([2H])c1[2H]
InChIInChI=1S/C57H36N4S/c1-4-16-37(17-5-1)40-22-14-23-43(34-40)56-58-55(39-20-8-3-9-21-39)59-57(60-56)48-36-42(44-26-15-29-53-54(44)46-25-11-13-28-52(46)62-53)31-33-51(48)61-49-27-12-10-24-45(49)47-35-41(30-32-50(47)61)38-18-6-2-7-19-38/h1-36H/i2D,6D,7D,10D,12D,18D,19D,24D,27D,30D,32D,35D
InChIKeyZWZMEAXTGQOSAG-MTCYDLJDSA-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 ≤ 500821.08
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole with MolForge

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-9-[5-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177292334
1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-4-yl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177292417
1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-3-yl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177292527
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-6-[1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 177267836
1,2,3,4,5,7,8-heptadeuterio-9-[4-(3,5-diphenylphenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176849559
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-2-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177292362
1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176849641
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
1,2,3,4,5,7,8-heptadeuterio-9-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3,5-diphenylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176849930
9-[4-anthracen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176849932
1,2,3,4,5,7,8-heptadeuterio-9-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176849545
1,2,3,4,5,6,8-heptadeuterio-9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7-phenylcarbazole
CID 176747153

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 177292313) is 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc(-c3cccc4sc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is ZWZMEAXTGQOSAG-MTCYDLJDSA-N. The full InChI is InChI=1S/C57H36N4S/c1-4-16-37(17-5-1)40-22-14-23-43(34-40)56-58-55(39-20-8-3-9-21-39)59-57(60-56)48-36-42(44-26-15-29-53-54(44)46-25-11-13-28-52(46)62-53)31-33-51(48)61-49-27-12-10-24-45(49)47-35-41(30-32-50(47)61)38-18-6-2-7-19-38/h1-36H/i2D,6D,7D,10D,12D,18D,19D,24D,27D,30D,32D,35D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 821.08 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 1,2,3,4,5,7,8-heptadeuterio-9-[4-dibenzothiophen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 177292313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).