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

C57H36N4S — CID 177292334

IUPAC1,2,3,4,5,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2cc(-c3cccc4sc5ccccc5c34)ccc2-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)46-32-30-42(44-26-15-29-53-54(44)47-25-11-13-28-52(47)62-53)36-51(46)61-49-27-12-10-24-45(49)48-35-41(31-33-50(48)61)38-18-6-2-7-19-38/h1-36H/i2D,6D,7D,10D,12D,18D,19D,24D,27D,31D,33D,35D
InChIKeyWOVXULNNBXWEJC-PGHXLIHXSA-N
MW821.08 g/mol
LogP15.34
Rot. Bonds7

About 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

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 (PubChem CID 177292334) 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-[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.

Molecular Properties

Compound Name1,2,3,4,5,7,8-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
PubChem CID177292334
Molecular FormulaC57H36N4S
Molecular Weight821.08 g/mol
Exact Mass820.34
IUPAC Name1,2,3,4,5,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2cc(-c3cccc4sc5ccccc5c34)ccc2-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)46-32-30-42(44-26-15-29-53-54(44)47-25-11-13-28-52(47)62-53)36-51(46)61-49-27-12-10-24-45(49)48-35-41(31-33-50(48)61)38-18-6-2-7-19-38/h1-36H/i2D,6D,7D,10D,12D,18D,19D,24D,27D,31D,33D,35D
InChIKeyWOVXULNNBXWEJC-PGHXLIHXSA-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-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)-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 177292533
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
1,2,3,4,5,7,8-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
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
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 176849721
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171420285
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-1-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267764
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130504
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2cc(-c3cccc4sc5ccccc5c34)ccc2-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-[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?
The InChIKey is WOVXULNNBXWEJC-PGHXLIHXSA-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)46-32-30-42(44-26-15-29-53-54(44)47-25-11-13-28-52(47)62-53)36-51(46)61-49-27-12-10-24-45(49)48-35-41(31-33-50(48)61)38-18-6-2-7-19-38/h1-36H/i2D,6D,7D,10D,12D,18D,19D,24D,27D,31D,33D,35D.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 177292334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).