About 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene
9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene (PubChem CID 167591342) has the molecular formula C200H137NS3
and a molecular weight of 2764.19 g/mol. Its IUPAC name is 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene.
Frequently Asked Questions
What is the IUPAC name of 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene?
The IUPAC name of 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene (CID 167591342) is 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene.
What is the SMILES notation for 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene?
The canonical SMILES for 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene is [2H]c1c([2H])c(-c2c([2H])c([2H])c(-n3c4c(C)c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c(C)c(C)c43)c(C)c2C)c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c(C)c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c4c3c2[2H])c1[2H].[2H]c1c([2H])c(-c2c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c4c3c2[2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c2sc2c([2H])c(C)c([2H])c([2H])c23)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2c([2H])c([2H])c([2H])c3c2sc2c(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c6c7c([2H])c([2H])c([2H])c([2H])c7c7c([2H])c([2H])c([2H])c([2H])c7c6c5[2H])c4[2H])c([2H])c([2H])c([2H])c23)c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c6c5c4[2H])c3[2H])c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(sc3c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c6c5c4[2H])c([2H])c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene?
The InChIKey is ILZVPSFQWXCBKC-JXWVJGMNSA-N. The full InChI is InChI=1S/C48H39N.C43H28S.C42H28.C37H24S.C30H18S/c1-28-17-20-40-41-22-19-35(27-45(41)39-15-8-7-14-38(39)44(40)25-28)34-12-10-13-36(26-34)37-23-24-46(33(6)32(37)5)49-47-30(3)11-9-16-42(47)43-21-18-29(2)31(4)48(43)49;1-27-10-6-12-30(24-27)32-18-8-20-39-40-21-9-19-33(43(40)44-42(32)39)31-13-7-11-28(25-31)29-22-23-38-36-16-3-2-14-34(36)35-15-4-5-17-37(35)41(38)26-29;1-3-12-29(13-4-1)34-25-35(30-14-5-2-6-15-30)27-36(26-34)32-17-11-16-31(24-32)33-22-23-41-39-20-8-7-18-37(39)38-19-9-10-21-40(38)42(41)28-33;1-23-16-18-33-34-15-7-14-27(37(34)38-36(33)20-23)26-9-6-8-24(21-26)25-17-19-32-30-12-3-2-10-28(30)29-11-4-5-13-31(29)35(32)22-25;1-2-10-23-21(8-1)22-9-3-4-11-24(22)28-18-19(16-17-25(23)28)20-13-7-14-27-26-12-5-6-15-29(26)31-30(20)27/h7-27H,1-6H3;2-26H,1H3;1-28H;2-22H,1H3;1-18H/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D;2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D.
What are the key properties of 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene?
9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene has a molecular weight of 2764.19 g/mol, XLogP of 58.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(1,3,4,5,6,8,9,10,11,12-decadeuterio-7-methyltriphenylen-2-yl)-2,4,5,6-tetradeuteriophenyl]-2,3-dideuterio-5,6-dimethylphenyl]-2,3,4,5,6-pentadeuterio-1,7,8-trimethylcarbazole;1,2,3,4,7,8,9-heptadeuterio-6-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)dibenzothiophene;1,2,3,6,8,9-hexadeuterio-7-methyl-4-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,7,8,9-hexadeuterio-4-(2,3,4,6-tetradeuterio-5-methylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)phenyl]dibenzothiophene;1,2,3,4,5,6,7,8,9,10,12-undecadeuterio-11-[2,3,4,6-tetradeuterio-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]triphenylene is sourced from PubChem (CID 167591342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).