1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

C143H94N10O2S — CID 165077987

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c([2H])c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5cccc6c5sc5ccccc56)c4[2H])n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c(C)c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5cccc6c5oc5c(-c7ccccc7)cc(-c7ccccc7)cc56)c4[2H])n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c4c3oc3c(-c5ccc(-c6ccccc6)cc5)c([2H])c([2H])c([2H])c34)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C52H35N3O.C46H31N3S.C45H28N4O/c1-34-14-11-22-41(30-34)51-53-50(39-28-26-37(27-29-39)35-15-5-2-6-16-35)54-52(55-51)42-23-12-21-40(31-42)44-24-13-25-45-47-33-43(36-17-7-3-8-18-36)32-46(49(47)56-48(44)45)38-19-9-4-10-20-38;1-30-10-7-13-36(28-30)33-22-26-35(27-23-33)45-47-44(34-24-20-32(21-25-34)31-11-3-2-4-12-31)48-46(49-45)38-15-8-14-37(29-38)39-17-9-18-41-40-16-5-6-19-42(40)50-43(39)41;1-3-13-29(14-4-1)30-25-27-31(28-26-30)33-19-11-20-36-37-21-12-22-38(42(37)50-41(33)36)44-46-43(32-15-5-2-6-16-32)47-45(48-44)49-39-23-9-7-17-34(39)35-18-8-10-24-40(35)49/h2-33H,1H3;2-29H,1H3;1-28H/i2D,5D,6D,11D,12D,14D,15D,16D,21D,22D,23D,26D,27D,28D,29D,30D,31D;2D,3D,4D,7D,8D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;2D,5D,6D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D
InChIKeyUQGKRUUZDAWVMN-IMVFYBLUSA-N
MW2073.81 g/mol
LogP37.83
Rot. Bonds18

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 165077987) has the molecular formula C143H94N10O2S and a molecular weight of 2073.81 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID165077987
Molecular FormulaC143H94N10O2S
Molecular Weight2073.81 g/mol
Exact Mass2072.09
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c([2H])c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5cccc6c5sc5ccccc56)c4[2H])n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c(C)c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5cccc6c5oc5c(-c7ccccc7)cc(-c7ccccc7)cc56)c4[2H])n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c4c3oc3c(-c5ccc(-c6ccccc6)cc5)c([2H])c([2H])c([2H])c34)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C52H35N3O.C46H31N3S.C45H28N4O/c1-34-14-11-22-41(30-34)51-53-50(39-28-26-37(27-29-39)35-15-5-2-6-16-35)54-52(55-51)42-23-12-21-40(31-42)44-24-13-25-45-47-33-43(36-17-7-3-8-18-36)32-46(49(47)56-48(44)45)38-19-9-4-10-20-38;1-30-10-7-13-36(28-30)33-22-26-35(27-23-33)45-47-44(34-24-20-32(21-25-34)31-11-3-2-4-12-31)48-46(49-45)38-15-8-14-37(29-38)39-17-9-18-41-40-16-5-6-19-42(40)50-43(39)41;1-3-13-29(14-4-1)30-25-27-31(28-26-30)33-19-11-20-36-37-21-12-22-38(42(37)50-41(33)36)44-46-43(32-15-5-2-6-16-32)47-45(48-44)49-39-23-9-7-17-34(39)35-18-8-10-24-40(35)49/h2-33H,1H3;2-29H,1H3;1-28H/i2D,5D,6D,11D,12D,14D,15D,16D,21D,22D,23D,26D,27D,28D,29D,30D,31D;2D,3D,4D,7D,8D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;2D,5D,6D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D
InChIKeyUQGKRUUZDAWVMN-IMVFYBLUSA-N
XLogP37.83
TPSA147.22 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.81
LogP ≤ 537.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenyldibenzothiophen-2-yl)-14-(2,3,4,6-tetradeuterio-5-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;4,5,6,7,11,12,16,17,18,19-decadeuterio-9-phenyl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]carbazole;2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,4,6-tetradeuterio-5-[1,2,3,7,8,9-hexadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-4-yl]phenyl]-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
CID 164957427
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
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769947
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
1,2,3,4,5,6,8-heptadeuterio-9-[4-dibenzothiophen-4-yl-6-[1,3,4,5,6-pentadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177268117
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
9-[4-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 162780551
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500053
2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 164942712
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
1,2,3,4,5,6,7-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
2,4-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 164788714

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (CID 165077987) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c([2H])c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5cccc6c5sc5ccccc56)c4[2H])n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c(C)c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5cccc6c5oc5c(-c7ccccc7)cc(-c7ccccc7)cc56)c4[2H])n3)c([2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c4c3oc3c(-c5ccc(-c6ccccc6)cc5)c([2H])c([2H])c([2H])c34)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is UQGKRUUZDAWVMN-IMVFYBLUSA-N. The full InChI is InChI=1S/C52H35N3O.C46H31N3S.C45H28N4O/c1-34-14-11-22-41(30-34)51-53-50(39-28-26-37(27-29-39)35-15-5-2-6-16-35)54-52(55-51)42-23-12-21-40(31-42)44-24-13-25-45-47-33-43(36-17-7-3-8-18-36)32-46(49(47)56-48(44)45)38-19-9-4-10-20-38;1-30-10-7-13-36(28-30)33-22-26-35(27-23-33)45-47-44(34-24-20-32(21-25-34)31-11-3-2-4-12-31)48-46(49-45)38-15-8-14-37(29-38)39-17-9-18-41-40-16-5-6-19-42(40)50-43(39)41;1-3-13-29(14-4-1)30-25-27-31(28-26-30)33-19-11-20-36-37-21-12-22-38(42(37)50-41(33)36)44-46-43(32-15-5-2-6-16-32)47-45(48-44)49-39-23-9-7-17-34(39)35-18-8-10-24-40(35)49/h2-33H,1H3;2-29H,1H3;1-28H/i2D,5D,6D,11D,12D,14D,15D,16D,21D,22D,23D,26D,27D,28D,29D,30D,31D;2D,3D,4D,7D,8D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D;2D,5D,6D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 2073.81 g/mol, XLogP of 37.83, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,7,8,9-hexadeuterio-6-(4-phenylphenyl)dibenzofuran-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole;2-(2,3,4,6-tetradeuterio-5-dibenzothiophen-4-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1,3,5-triazine;2-[2,3,4,6-tetradeuterio-5-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 165077987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).