About [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone
[3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone (PubChem CID 159100917) has the molecular formula C237H169N4OP
and a molecular weight of 3119.96 g/mol. Its IUPAC name is [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone.
Frequently Asked Questions
What is the IUPAC name of [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone?
The IUPAC name of [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone (CID 159100917) is [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone.
What is the SMILES notation for [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone?
The canonical SMILES for [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone is CC(C)(C)c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c6cc(-c7ccccn7)cc7cc(-c8ccccn8)cc(c5c(-c5ccccc5)c4cc2c13)c76.CC(C)c1cc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3cc(C(C)C)cc(C(C)C)c3)c3c6ccc(P(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc(C(C)C)c1.Cc1cc(C)cc(-c2ccc3c4c(-c5ccc6c(n5)-c5ccccc5C6(C)C)c5cc6c7ccccc7c7cccc(c5c(-c5ccc8c(n5)-c5ccccc5C8(C)C)c4c4cccc2c34)c76)c1.O=C(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4c(cc5c6ccccc6c6cccc4c65)c(-c4ccccc4)c3c3cccc1c32.
What is the InChIKey of [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone?
The InChIKey is KDGPJMLDWOAQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2.C66H57P.C56H38N2.C49H28O/c1-35-31-36(2)33-37(32-35)38-25-26-47-56-41(38)19-13-22-46(56)61-60(47)59(54-29-27-52-63(67-54)43-17-9-11-23-50(43)65(52,3)4)49-34-48-40-16-8-7-15-39(40)42-20-14-21-45(57(42)48)58(49)62(61)55-30-28-53-64(68-55)44-18-10-12-24-51(44)66(53,5)6;1-38(2)42-31-43(39(3)4)34-46(33-42)60-58-37-57-51-24-16-15-23-50(51)52-25-17-27-54(62(52)57)64(58)61(47-35-44(40(5)6)32-45(36-47)41(7)8)66-56-29-30-59(53-26-18-28-55(63(53)56)65(60)66)67(48-19-11-9-12-20-48)49-21-13-10-14-22-49;1-56(2,3)38-23-24-39-42(31-38)40-19-14-20-41-52(40)43(39)32-46-50(33-15-6-4-7-16-33)54-44-29-35(47-21-10-12-25-57-47)27-37-28-36(48-22-11-13-26-58-48)30-45(49(37)44)55(54)51(53(41)46)34-17-8-5-9-18-34;50-49(31-18-8-3-9-19-31)36-26-27-39-44-35(36)23-13-25-38(44)47-42(29-14-4-1-5-15-29)41-28-40-33-21-11-10-20-32(33)34-22-12-24-37(45(34)40)46(41)43(48(39)47)30-16-6-2-7-17-30/h7-34H,1-6H3;9-41H,1-8H3;4-32H,1-3H3;1-28H.
What are the key properties of [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone?
[3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone has a molecular weight of 3119.96 g/mol, XLogP of 64.47, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,15-bis[3,5-di(propan-2-yl)phenyl]-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl]-diphenylphosphane;2-(22-tert-butyl-3,15-diphenyl-7-pyridin-2-yl-11-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl)pyridine;2-[3-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-10-(3,5-dimethylphenyl)-15-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaenyl]-5,5-dimethylindeno[1,2-b]pyridine;(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)-phenylmethanone is sourced from PubChem (CID 159100917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).