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

C63H40N4S — CID 176849930

IUPAC1,2,3,4,5,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C63H40N4S/c1-5-18-41(19-6-1)45-33-35-57-55(39-45)51-26-13-15-30-56(51)67(57)60-50(49-37-47(42-20-7-2-8-21-42)36-48(38-49)43-22-9-3-10-23-43)28-17-29-54(60)63-65-61(44-24-11-4-12-25-44)64-62(66-63)46-32-34-53-52-27-14-16-31-58(52)68-59(53)40-46/h1-40H/i1D,5D,6D,13D,15D,18D,19D,26D,30D,33D,35D,39D
InChIKeyLMNVUCZCZVQFEB-KEMCQYFVSA-N
MW897.18 g/mol
LogP17.01
Rot. Bonds8

About 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

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 (PubChem CID 176849930) has the molecular formula C63H40N4S and a molecular weight of 897.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,5,7,8-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
PubChem CID176849930
Molecular FormulaC63H40N4S
Molecular Weight897.18 g/mol
Exact Mass896.37
IUPAC Name1,2,3,4,5,7,8-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
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C63H40N4S/c1-5-18-41(19-6-1)45-33-35-57-55(39-45)51-26-13-15-30-56(51)67(57)60-50(49-37-47(42-20-7-2-8-21-42)36-48(38-49)43-22-9-3-10-23-43)28-17-29-54(60)63-65-61(44-24-11-4-12-25-44)64-62(66-63)46-32-34-53-52-27-14-16-31-58(52)68-59(53)40-46/h1-40H/i1D,5D,6D,13D,15D,18D,19D,26D,30D,33D,35D,39D
InChIKeyLMNVUCZCZVQFEB-KEMCQYFVSA-N
XLogP17.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.18
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
1,2,3,4,5,7,8-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-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(2-phenylphenyl)phenyl]carbazole
CID 176849716
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
1,2,3,4,5,7,8-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
1,2,3,4,5,6,8-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
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
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 176849770
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-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)carbazole
CID 177275231
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is LMNVUCZCZVQFEB-KEMCQYFVSA-N. The full InChI is InChI=1S/C63H40N4S/c1-5-18-41(19-6-1)45-33-35-57-55(39-45)51-26-13-15-30-56(51)67(57)60-50(49-37-47(42-20-7-2-8-21-42)36-48(38-49)43-22-9-3-10-23-43)28-17-29-54(60)63-65-61(44-24-11-4-12-25-44)64-62(66-63)46-32-34-53-52-27-14-16-31-58(52)68-59(53)40-46/h1-40H/i1D,5D,6D,13D,15D,18D,19D,26D,30D,33D,35D,39D.
What are the key properties of 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?
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 has a molecular weight of 897.18 g/mol, XLogP of 17.01, 8 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-[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 is sourced from PubChem (CID 176849930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).