About 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene
28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene (PubChem CID 167544014) has the molecular formula C233H134N2
and a molecular weight of 2961.65 g/mol. Its IUPAC name is 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene.
Frequently Asked Questions
What is the IUPAC name of 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene?
The IUPAC name of 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene (CID 167544014) is 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene.
What is the SMILES notation for 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene?
The canonical SMILES for 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene is Cc1cccc(C)c1-c1ccc2c(ccc3cc4c5c(-c6ccccc6)c6cc7c8ccccc8c8cccc(c6c(-c6ccccc6)c5c5cccc(c32)c45)c87)c1.N#Cc1ccc2c(ccc3cc4c5c(-c6ccccc6)c6cc7c8ccccc8c8cccc(c6c(-c6ccccc6)c5c5cccc(c32)c45)c87)c1.c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6cccc7c8c(ccc9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)cc(c23)c67)c54)cc1.c1ccc(-c2ccc3c(ccc4cc5c6c(-c7ccccc7)c7cc8c9ccccc9c9cccc(c7c(-c7ccccc7)c6c6cccc(c43)c56)c98)c2)cc1.
What is the InChIKey of 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene?
The InChIKey is BOCHEMZVSPXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H39N.C58H36.C56H32.C51H27N/c1-4-16-40(17-5-1)62-58-39-56-49-23-11-10-22-48(49)51-25-14-27-53(64(51)56)66(58)63(41-18-6-2-7-19-41)67-54-28-15-26-52-61-45(38-57(65(52)54)68(62)67)31-30-44-36-42(32-34-47(44)61)43-33-35-60-55(37-43)50-24-12-13-29-59(50)69(60)46-20-8-3-9-21-46;1-33-14-11-15-34(2)50(33)38-28-29-40-37(30-38)26-27-39-31-48-55-44(51(39)40)23-13-25-46(55)57-53(36-18-7-4-8-19-36)56-45-24-12-22-43-41-20-9-10-21-42(41)47(54(43)45)32-49(56)52(58(48)57)35-16-5-3-6-17-35;1-4-14-33(15-5-1)36-28-29-39-37(30-36)26-27-38-31-47-53-43(49(38)39)23-13-25-45(53)55-51(35-18-8-3-9-19-35)54-44-24-12-22-42-40-20-10-11-21-41(40)46(52(42)44)32-48(54)50(56(47)55)34-16-6-2-7-17-34;52-28-29-21-24-34-32(25-29)22-23-33-26-42-48-38(44(33)34)18-10-20-40(48)50-46(31-13-5-2-6-14-31)49-39-19-9-17-37-35-15-7-8-16-36(35)41(47(37)39)27-43(49)45(51(42)50)30-11-3-1-4-12-30/h1-39H;3-32H,1-2H3;1-32H;1-27H.
What are the key properties of 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene?
28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene has a molecular weight of 2961.65 g/mol, XLogP of 65.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 28-(2,6-dimethylphenyl)-3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene;3,19-diphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene-28-carbonitrile;3-(3,19-diphenyl-28-decacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaenyl)-9-phenylcarbazole;3,19,28-triphenyldecacyclo[19.15.1.15,9.02,20.04,18.010,15.023,32.026,31.033,37.016,38]octatriaconta-1(36),2,4(18),5,7,9(38),10,12,14,16,19,21(37),22,24,26(31),27,29,32,34-nonadecaene is sourced from PubChem (CID 167544014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).