3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene

C274H204 — CID 161015590

IUPAC3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene
SMILESCC(C)(C)c1cc(-c2c3c(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1c2c(c(-c3ccccc3)c3ccccc13)-c1ccc3c4c(ccc-2c14)-c1c-3c(-c2ccccc2C(C)(C)C)c2cc3ccccc3cc2c1-c1ccccc1.Cc1cccc(-c2c3c(c(-c4cccc(C)c4)c4cc5ccccc5cc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3cc(C)cc(C)c3)c3ccccc3c2-c2cc(C)cc(C)c2)c1.c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccc6)c5)c5ccccc35)-c3ccc5c6c(ccc-4c36)-c3c-5c(-c4ccccc4)c4cc5ccccc5cc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C74H66.C70H42.C66H50.C64H46/c1-71(2,3)49-35-47(36-50(41-49)72(4,5)6)63-53-29-21-22-30-54(53)64(48-37-51(73(7,8)9)42-52(38-48)74(10,11)12)70-58-34-32-56-65-55(31-33-57(66(58)65)69(63)70)67-61(43-23-15-13-16-24-43)59-39-45-27-19-20-28-46(45)40-60(59)62(68(56)67)44-25-17-14-18-26-44;1-5-19-43(20-6-1)47-29-17-31-51(39-47)63-53-33-15-16-34-54(53)64(52-32-18-30-48(40-52)44-21-7-2-8-22-44)70-58-38-36-56-65-55(35-37-57(66(58)65)69(63)70)67-61(45-23-9-3-10-24-45)59-41-49-27-13-14-28-50(49)42-60(59)62(68(56)67)46-25-11-4-12-26-46;1-65(2,3)53-31-19-17-29-45(53)57-44-28-16-15-27-43(44)55(39-21-9-7-10-22-39)61-47-33-36-50-60-48(34-35-49(59(47)60)63(57)61)62-56(40-23-11-8-12-24-40)51-37-41-25-13-14-26-42(41)38-52(51)58(64(50)62)46-30-18-20-32-54(46)66(4,5)6;1-35-13-11-17-43(27-35)55-53-33-41-15-7-8-16-42(41)34-54(53)56(44-18-12-14-36(2)28-44)62-50-22-24-52-60-51(23-21-49(59(50)60)61(55)62)63-57(45-29-37(3)25-38(4)30-45)47-19-9-10-20-48(47)58(64(52)63)46-31-39(5)26-40(6)32-46/h13-42H,1-12H3;1-42H;7-38H,1-6H3;7-34H,1-6H3
InChIKeyTXRHPNNAHVDJEJ-UHFFFAOYSA-N
MW3496.65 g/mol
LogP78.02
Rot. Bonds18

About 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene

3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene (PubChem CID 161015590) has the molecular formula C274H204 and a molecular weight of 3496.65 g/mol. Its IUPAC name is 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene.

Molecular Properties

Compound Name3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene
PubChem CID161015590
Molecular FormulaC274H204
Molecular Weight3496.65 g/mol
Exact Mass3493.60
IUPAC Name3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene
SMILESCC(C)(C)c1cc(-c2c3c(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1c2c(c(-c3ccccc3)c3ccccc13)-c1ccc3c4c(ccc-2c14)-c1c-3c(-c2ccccc2C(C)(C)C)c2cc3ccccc3cc2c1-c1ccccc1.Cc1cccc(-c2c3c(c(-c4cccc(C)c4)c4cc5ccccc5cc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3cc(C)cc(C)c3)c3ccccc3c2-c2cc(C)cc(C)c2)c1.c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccc6)c5)c5ccccc35)-c3ccc5c6c(ccc-4c36)-c3c-5c(-c4ccccc4)c4cc5ccccc5cc4c3-c3ccccc3)c2)cc1
InChIInChI=1S/C74H66.C70H42.C66H50.C64H46/c1-71(2,3)49-35-47(36-50(41-49)72(4,5)6)63-53-29-21-22-30-54(53)64(48-37-51(73(7,8)9)42-52(38-48)74(10,11)12)70-58-34-32-56-65-55(31-33-57(66(58)65)69(63)70)67-61(43-23-15-13-16-24-43)59-39-45-27-19-20-28-46(45)40-60(59)62(68(56)67)44-25-17-14-18-26-44;1-5-19-43(20-6-1)47-29-17-31-51(39-47)63-53-33-15-16-34-54(53)64(52-32-18-30-48(40-52)44-21-7-2-8-22-44)70-58-38-36-56-65-55(35-37-57(66(58)65)69(63)70)67-61(45-23-9-3-10-24-45)59-41-49-27-13-14-28-50(49)42-60(59)62(68(56)67)46-25-11-4-12-26-46;1-65(2,3)53-31-19-17-29-45(53)57-44-28-16-15-27-43(44)55(39-21-9-7-10-22-39)61-47-33-36-50-60-48(34-35-49(59(47)60)63(57)61)62-56(40-23-11-8-12-24-40)51-37-41-25-13-14-26-42(41)38-52(51)58(64(50)62)46-30-18-20-32-54(46)66(4,5)6;1-35-13-11-17-43(27-35)55-53-33-41-15-7-8-16-42(41)34-54(53)56(44-18-12-14-36(2)28-44)62-50-22-24-52-60-51(23-21-49(59(50)60)61(55)62)63-57(45-29-37(3)25-38(4)30-45)47-19-9-10-20-48(47)58(64(52)63)46-31-39(5)26-40(6)32-46/h13-42H,1-12H3;1-42H;7-38H,1-6H3;7-34H,1-6H3
InChIKeyTXRHPNNAHVDJEJ-UHFFFAOYSA-N
XLogP78.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms274
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003496.65
LogP ≤ 578.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene with MolForge

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Related Compounds

3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 158782426
24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene
CID 160900887
3,14-bis(3,5-ditert-butylphenyl)-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
CID 58282384
7,25-bis(2-methylphenyl)-14,36-diphenyldodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaene;7,25-diphenyl-14,36-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(40),2,4,6,8,10,12,14,16,18,20(41),21,23(42),24,26,28,30,32,34,36,38,43-docosaene;21-(2-methylphenyl)-7,10-diphenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;21-(2-methylphenyl)-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;21-(3-methylphenyl)-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;21-phenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene;7,14,25,36-tetrakis(2-methylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38(42),39,43-docosaene;7,10,21-triphenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(32),2(36),3(15),4(12),5(35),6,8,10,13,16(33),17,19(34),20,22,24,26,28,30-octadecaene
CID 160635554
5,17-bis(3,5-ditert-butylphenyl)-26,33-diphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(38),2,4(18),5,7,9,11(40),12,14,16,19,21,23,25,27,29,31,33,35(39),36-icosaene
CID 123568689
9-(4-tert-butylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-dimethylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-diphenylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-phenanthren-9-yl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 160742199
7,12-bis(3,5-dimethylphenyl)-3,9-bis(3-methylphenyl)benzo[k]fluoranthene
CID 157207243
7,18,41-tris(3,5-ditert-butylphenyl)tetradecacyclo[25.18.2.22,5.129,36.03,23.04,20.06,19.08,17.010,15.024,46.028,42.030,35.043,47.040,48]pentaconta-1(45),2(50),3(23),4(20),5(49),6,8,10,12,14,16,18,21,24(46),25,27(47),28,30,32,34,36(48),37,39,41,43-pentacosaene
CID 153450039
3,14-bis(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-8-(3,5-ditert-butylphenyl)-21,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4(13),5,7,9,11,14,16(33),17,19(34),20,22,24,26,28,30-heptadecaene
CID 58282369
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
1,3-bis(3,5-ditert-butylphenyl)-2-benzofuran;17,24-bis(3,5-ditert-butylphenyl)-3,6,10-triphenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene;3,6,10-triphenylhexacyclo[13.5.2.02,11.04,9.012,21.018,22]docosa-1(20),2,4(9),5,7,10,12(21),13,15(22),16,18-undecaene
CID 159556631
3,14-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123826742

Frequently Asked Questions

What is the IUPAC name of 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene?
The IUPAC name of 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene (CID 161015590) is 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene.
What is the SMILES notation for 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene?
The canonical SMILES for 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene is CC(C)(C)c1cc(-c2c3c(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1c2c(c(-c3ccccc3)c3ccccc13)-c1ccc3c4c(ccc-2c14)-c1c-3c(-c2ccccc2C(C)(C)C)c2cc3ccccc3cc2c1-c1ccccc1.Cc1cccc(-c2c3c(c(-c4cccc(C)c4)c4cc5ccccc5cc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3cc(C)cc(C)c3)c3ccccc3c2-c2cc(C)cc(C)c2)c1.c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccc6)c5)c5ccccc35)-c3ccc5c6c(ccc-4c36)-c3c-5c(-c4ccccc4)c4cc5ccccc5cc4c3-c3ccccc3)c2)cc1.
What is the InChIKey of 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene?
The InChIKey is TXRHPNNAHVDJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66.C70H42.C66H50.C64H46/c1-71(2,3)49-35-47(36-50(41-49)72(4,5)6)63-53-29-21-22-30-54(53)64(48-37-51(73(7,8)9)42-52(38-48)74(10,11)12)70-58-34-32-56-65-55(31-33-57(66(58)65)69(63)70)67-61(43-23-15-13-16-24-43)59-39-45-27-19-20-28-46(45)40-60(59)62(68(56)67)44-25-17-14-18-26-44;1-5-19-43(20-6-1)47-29-17-31-51(39-47)63-53-33-15-16-34-54(53)64(52-32-18-30-48(40-52)44-21-7-2-8-22-44)70-58-38-36-56-65-55(35-37-57(66(58)65)69(63)70)67-61(45-23-9-3-10-24-45)59-41-49-27-13-14-28-50(49)42-60(59)62(68(56)67)46-25-11-4-12-26-46;1-65(2,3)53-31-19-17-29-45(53)57-44-28-16-15-27-43(44)55(39-21-9-7-10-22-39)61-47-33-36-50-60-48(34-35-49(59(47)60)63(57)61)62-56(40-23-11-8-12-24-40)51-37-41-25-13-14-26-42(41)38-52(51)58(64(50)62)46-30-18-20-32-54(46)66(4,5)6;1-35-13-11-17-43(27-35)55-53-33-41-15-7-8-16-42(41)34-54(53)56(44-18-12-14-36(2)28-44)62-50-22-24-52-60-51(23-21-49(59(50)60)61(55)62)63-57(45-29-37(3)25-38(4)30-45)47-19-9-10-20-48(47)58(64(52)63)46-31-39(5)26-40(6)32-46/h13-42H,1-12H3;1-42H;7-38H,1-6H3;7-34H,1-6H3.
What are the key properties of 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene?
3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene has a molecular weight of 3496.65 g/mol, XLogP of 78.02, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene is sourced from PubChem (CID 161015590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).