6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene

C440H332 — CID 162240325

IUPAC6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene
SMILESCC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3c4cc5c(cc6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccccc8c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c7c7cccc5c76)c5cccc(c23)c54)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c4cc5c(cc6c7c(-c8ccc(C(C)(C)C)cc8)c8ccccc8c(-c8ccc(C(C)(C)C)cc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.Cc1ccccc1-c1ccc(-c2ccccc2C)c2c3cc4c(cc5c6c(-c7ccccc7C)c7ccccc7c(-c7ccccc7C)c6c6cccc4c65)c4cccc(c12)c43.c1ccc(-c2ccc(-c3ccccc3)c3c4cc5c(cc6c7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3c4cc5c(cc6c7c(-c8ccccc8-c8ccccc8)c8ccccc8c(-c8ccccc8-c8ccccc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c5cc6c(cc7c8c(-c9cccc%10ccccc9%10)c9ccccc9c(-c9cccc%10ccccc9%10)c8c8cccc6c87)c6cccc(c34)c65)cccc2c1
InChIInChI=1S/C90H98.C82H50.C74H42.C74H66.C62H42.C58H34/c1-83(2,3)55-37-51(38-56(45-55)84(4,5)6)63-35-36-64(52-39-57(85(7,8)9)46-58(40-52)86(10,11)12)80-73-49-71-68-32-28-34-70-78(68)74(50-72(71)67-31-27-33-69(77(67)73)79(63)80)82-76(54-43-61(89(19,20)21)48-62(44-54)90(22,23)24)66-30-26-25-29-65(66)75(81(70)82)53-41-59(87(13,14)15)47-60(42-53)88(16,17)18;1-5-25-51(26-6-1)55-33-13-17-37-59(55)67-47-48-68(60-38-18-14-34-56(60)52-27-7-2-8-28-52)80-73-49-71-66-44-24-46-70-76(66)74(50-72(71)65-43-23-45-69(75(65)73)79(67)80)82-78(62-40-20-16-36-58(62)54-31-11-4-12-32-54)64-42-22-21-41-63(64)77(81(70)82)61-39-19-15-35-57(61)53-29-9-3-10-30-53;1-5-25-47-43(17-1)21-11-31-51(47)59-39-40-60(52-32-12-22-44-18-2-6-26-48(44)52)72-65-41-63-58-36-16-38-62-68(58)66(42-64(63)57-35-15-37-61(67(57)65)71(59)72)74-70(54-34-14-24-46-20-4-8-28-50(46)54)56-30-10-9-29-55(56)69(73(62)74)53-33-13-23-45-19-3-7-27-49(45)53;1-71(2,3)47-31-23-43(24-32-47)51-39-40-52(44-25-33-48(34-26-44)72(4,5)6)68-61-41-59-56-20-16-22-58-66(56)62(42-60(59)55-19-15-21-57(65(55)61)67(51)68)70-64(46-29-37-50(38-30-46)74(10,11)12)54-18-14-13-17-53(54)63(69(58)70)45-27-35-49(36-28-45)73(7,8)9;1-35-17-5-9-21-39(35)47-31-32-48(40-22-10-6-18-36(40)2)60-53-33-51-46-28-16-30-50-56(46)54(34-52(51)45-27-15-29-49(55(45)53)59(47)60)62-58(42-24-12-8-20-38(42)4)44-26-14-13-25-43(44)57(61(50)62)41-23-11-7-19-37(41)3;1-5-17-35(18-6-1)39-31-32-40(36-19-7-2-8-20-36)56-49-33-47-44-28-16-30-46-54(44)50(34-48(47)43-27-15-29-45(53(43)49)55(39)56)58-52(38-23-11-4-12-24-38)42-26-14-13-25-41(42)51(57(46)58)37-21-9-3-10-22-37/h25-50H,1-24H3;1-50H;1-42H;13-42H,1-12H3;5-34H,1-4H3;1-34H
InChIKeyZWPOCXQRZYYDBL-UHFFFAOYSA-N
MW5619.50 g/mol
LogP126.82
Rot. Bonds28

About 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene

6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene (PubChem CID 162240325) has the molecular formula C440H332 and a molecular weight of 5619.50 g/mol. Its IUPAC name is 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene.

Molecular Properties

Compound Name6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene
PubChem CID162240325
Molecular FormulaC440H332
Molecular Weight5619.50 g/mol
Exact Mass5614.60
IUPAC Name6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene
SMILESCC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3c4cc5c(cc6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccccc8c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c7c7cccc5c76)c5cccc(c23)c54)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c4cc5c(cc6c7c(-c8ccc(C(C)(C)C)cc8)c8ccccc8c(-c8ccc(C(C)(C)C)cc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.Cc1ccccc1-c1ccc(-c2ccccc2C)c2c3cc4c(cc5c6c(-c7ccccc7C)c7ccccc7c(-c7ccccc7C)c6c6cccc4c65)c4cccc(c12)c43.c1ccc(-c2ccc(-c3ccccc3)c3c4cc5c(cc6c7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3c4cc5c(cc6c7c(-c8ccccc8-c8ccccc8)c8ccccc8c(-c8ccccc8-c8ccccc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c5cc6c(cc7c8c(-c9cccc%10ccccc9%10)c9ccccc9c(-c9cccc%10ccccc9%10)c8c8cccc6c87)c6cccc(c34)c65)cccc2c1
InChIInChI=1S/C90H98.C82H50.C74H42.C74H66.C62H42.C58H34/c1-83(2,3)55-37-51(38-56(45-55)84(4,5)6)63-35-36-64(52-39-57(85(7,8)9)46-58(40-52)86(10,11)12)80-73-49-71-68-32-28-34-70-78(68)74(50-72(71)67-31-27-33-69(77(67)73)79(63)80)82-76(54-43-61(89(19,20)21)48-62(44-54)90(22,23)24)66-30-26-25-29-65(66)75(81(70)82)53-41-59(87(13,14)15)47-60(42-53)88(16,17)18;1-5-25-51(26-6-1)55-33-13-17-37-59(55)67-47-48-68(60-38-18-14-34-56(60)52-27-7-2-8-28-52)80-73-49-71-66-44-24-46-70-76(66)74(50-72(71)65-43-23-45-69(75(65)73)79(67)80)82-78(62-40-20-16-36-58(62)54-31-11-4-12-32-54)64-42-22-21-41-63(64)77(81(70)82)61-39-19-15-35-57(61)53-29-9-3-10-30-53;1-5-25-47-43(17-1)21-11-31-51(47)59-39-40-60(52-32-12-22-44-18-2-6-26-48(44)52)72-65-41-63-58-36-16-38-62-68(58)66(42-64(63)57-35-15-37-61(67(57)65)71(59)72)74-70(54-34-14-24-46-20-4-8-28-50(46)54)56-30-10-9-29-55(56)69(73(62)74)53-33-13-23-45-19-3-7-27-49(45)53;1-71(2,3)47-31-23-43(24-32-47)51-39-40-52(44-25-33-48(34-26-44)72(4,5)6)68-61-41-59-56-20-16-22-58-66(56)62(42-60(59)55-19-15-21-57(65(55)61)67(51)68)70-64(46-29-37-50(38-30-46)74(10,11)12)54-18-14-13-17-53(54)63(69(58)70)45-27-35-49(36-28-45)73(7,8)9;1-35-17-5-9-21-39(35)47-31-32-48(40-22-10-6-18-36(40)2)60-53-33-51-46-28-16-30-50-56(46)54(34-52(51)45-27-15-29-49(55(45)53)59(47)60)62-58(42-24-12-8-20-38(42)4)44-26-14-13-25-43(44)57(61(50)62)41-23-11-7-19-37(41)3;1-5-17-35(18-6-1)39-31-32-40(36-19-7-2-8-20-36)56-49-33-47-44-28-16-30-46-54(44)50(34-48(47)43-27-15-29-45(53(43)49)55(39)56)58-52(38-23-11-4-12-24-38)42-26-14-13-25-41(42)51(57(46)58)37-21-9-3-10-22-37/h25-50H,1-24H3;1-50H;1-42H;13-42H,1-12H3;5-34H,1-4H3;1-34H
InChIKeyZWPOCXQRZYYDBL-UHFFFAOYSA-N
XLogP126.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms440
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005619.50
LogP ≤ 5126.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene?
The IUPAC name of 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene (CID 162240325) is 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene.
What is the SMILES notation for 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene?
The canonical SMILES for 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene is CC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3c4cc5c(cc6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccccc8c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c7c7cccc5c76)c5cccc(c23)c54)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3c4cc5c(cc6c7c(-c8ccc(C(C)(C)C)cc8)c8ccccc8c(-c8ccc(C(C)(C)C)cc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.Cc1ccccc1-c1ccc(-c2ccccc2C)c2c3cc4c(cc5c6c(-c7ccccc7C)c7ccccc7c(-c7ccccc7C)c6c6cccc4c65)c4cccc(c12)c43.c1ccc(-c2ccc(-c3ccccc3)c3c4cc5c(cc6c7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3c4cc5c(cc6c7c(-c8ccccc8-c8ccccc8)c8ccccc8c(-c8ccccc8-c8ccccc8)c7c7cccc5c76)c5cccc(c23)c54)cc1.c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c5cc6c(cc7c8c(-c9cccc%10ccccc9%10)c9ccccc9c(-c9cccc%10ccccc9%10)c8c8cccc6c87)c6cccc(c34)c65)cccc2c1.
What is the InChIKey of 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene?
The InChIKey is ZWPOCXQRZYYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H98.C82H50.C74H42.C74H66.C62H42.C58H34/c1-83(2,3)55-37-51(38-56(45-55)84(4,5)6)63-35-36-64(52-39-57(85(7,8)9)46-58(40-52)86(10,11)12)80-73-49-71-68-32-28-34-70-78(68)74(50-72(71)67-31-27-33-69(77(67)73)79(63)80)82-76(54-43-61(89(19,20)21)48-62(44-54)90(22,23)24)66-30-26-25-29-65(66)75(81(70)82)53-41-59(87(13,14)15)47-60(42-53)88(16,17)18;1-5-25-51(26-6-1)55-33-13-17-37-59(55)67-47-48-68(60-38-18-14-34-56(60)52-27-7-2-8-28-52)80-73-49-71-66-44-24-46-70-76(66)74(50-72(71)65-43-23-45-69(75(65)73)79(67)80)82-78(62-40-20-16-36-58(62)54-31-11-4-12-32-54)64-42-22-21-41-63(64)77(81(70)82)61-39-19-15-35-57(61)53-29-9-3-10-30-53;1-5-25-47-43(17-1)21-11-31-51(47)59-39-40-60(52-32-12-22-44-18-2-6-26-48(44)52)72-65-41-63-58-36-16-38-62-68(58)66(42-64(63)57-35-15-37-61(67(57)65)71(59)72)74-70(54-34-14-24-46-20-4-8-28-50(46)54)56-30-10-9-29-55(56)69(73(62)74)53-33-13-23-45-19-3-7-27-49(45)53;1-71(2,3)47-31-23-43(24-32-47)51-39-40-52(44-25-33-48(34-26-44)72(4,5)6)68-61-41-59-56-20-16-22-58-66(56)62(42-60(59)55-19-15-21-57(65(55)61)67(51)68)70-64(46-29-37-50(38-30-46)74(10,11)12)54-18-14-13-17-53(54)63(69(58)70)45-27-35-49(36-28-45)73(7,8)9;1-35-17-5-9-21-39(35)47-31-32-48(40-22-10-6-18-36(40)2)60-53-33-51-46-28-16-30-50-56(46)54(34-52(51)45-27-15-29-49(55(45)53)59(47)60)62-58(42-24-12-8-20-38(42)4)44-26-14-13-25-43(44)57(61(50)62)41-23-11-7-19-37(41)3;1-5-17-35(18-6-1)39-31-32-40(36-19-7-2-8-20-36)56-49-33-47-44-28-16-30-46-54(44)50(34-48(47)43-27-15-29-45(53(43)49)55(39)56)58-52(38-23-11-4-12-24-38)42-26-14-13-25-41(42)51(57(46)58)37-21-9-3-10-22-37/h25-50H,1-24H3;1-50H;1-42H;13-42H,1-12H3;5-34H,1-4H3;1-34H.
What are the key properties of 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene?
6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene has a molecular weight of 5619.50 g/mol, XLogP of 126.82, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,20,27-tetrakis(4-tert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(3,5-ditert-butylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-methylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetrakis(2-phenylphenyl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetranaphthalen-1-ylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;6,9,20,27-tetraphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene is sourced from PubChem (CID 162240325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).