1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole

C51H31N5S — CID 176637246

IUPAC1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c4c(c5c([2H])c([2H])c([2H])c([2H])c5n4-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6c5sc5ccccc56)n4)c32)c([2H])c1[2H]
InChIInChI=1S/C51H31N5S/c1-3-15-32(16-4-1)33-17-13-18-34(31-33)49-52-50(41-25-14-24-39-37-22-9-12-28-45(37)57-48(39)41)54-51(53-49)56-43-27-11-8-23-40(43)46-44(56)30-29-38-36-21-7-10-26-42(36)55(47(38)46)35-19-5-2-6-20-35/h1-31H/i2D,5D,6D,7D,8D,10D,11D,19D,20D,21D,23D,26D,27D,29D,30D
InChIKeyFZTGHJFPZJEGFZ-COFAPOCGSA-N
MW761.00 g/mol
LogP13.43
Rot. Bonds5

About 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole

1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole (PubChem CID 176637246) has the molecular formula C51H31N5S and a molecular weight of 761.00 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
PubChem CID176637246
Molecular FormulaC51H31N5S
Molecular Weight761.00 g/mol
Exact Mass760.32
IUPAC Name1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c4c(c5c([2H])c([2H])c([2H])c([2H])c5n4-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6c5sc5ccccc56)n4)c32)c([2H])c1[2H]
InChIInChI=1S/C51H31N5S/c1-3-15-32(16-4-1)33-17-13-18-34(31-33)49-52-50(41-25-14-24-39-37-22-9-12-28-45(37)57-48(39)41)54-51(53-49)56-43-27-11-8-23-40(43)46-44(56)30-29-38-36-21-7-10-26-42(36)55(47(38)46)35-19-5-2-6-20-35/h1-31H/i2D,5D,6D,7D,8D,10D,11D,19D,20D,21D,23D,26D,27D,29D,30D
InChIKeyFZTGHJFPZJEGFZ-COFAPOCGSA-N
XLogP13.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.00
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
CID 176637309
1,2,3,4,5,6,7,8,9,10-decadeuterio-12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 164847686
1,2,3,4,5,6,7-heptadeuterio-8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176767110
1,2,3,4,5,6,7-heptadeuterio-8-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519828
1,3,4,5,6,7,8,10-octadeuterio-12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 164847505
1,2,3,4-tetradeuterio-9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)carbazole
CID 177275607
1,2,3,4,5,6,7,8-octadeuterio-9-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 170536810
1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole
CID 176637258
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-5-phenylphenyl]carbazole
CID 170536745
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130291
1,2,3,4,5,6,7-heptadeuterio-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-8-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176747132
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167345715

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
The IUPAC name of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole (CID 176637246) is 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c4c(c5c([2H])c([2H])c([2H])c([2H])c5n4-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6c5sc5ccccc56)n4)c32)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
The InChIKey is FZTGHJFPZJEGFZ-COFAPOCGSA-N. The full InChI is InChI=1S/C51H31N5S/c1-3-15-32(16-4-1)33-17-13-18-34(31-33)49-52-50(41-25-14-24-39-37-22-9-12-28-45(37)57-48(39)41)54-51(53-49)56-43-27-11-8-23-40(43)46-44(56)30-29-38-36-21-7-10-26-42(36)55(47(38)46)35-19-5-2-6-20-35/h1-31H/i2D,5D,6D,7D,8D,10D,11D,19D,20D,21D,23D,26D,27D,29D,30D.
What are the key properties of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole?
1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole has a molecular weight of 761.00 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 176637246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).