6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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

C421H299N — CID 159120191

About 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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

6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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 (PubChem CID 159120191) has the molecular formula C421H299N and a molecular weight of 5372.03 g/mol. Its IUPAC name is 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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.

Molecular Properties

• Compound Name: 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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
• PubChem CID: 159120191
• Molecular Formula: C421H299N
• Molecular Weight: 5372.03 g/mol
• Exact Mass: 5367.34
• IUPAC Name: 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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
• SMILES: CC(C)c1cc2ccc3ccc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4ccc5c7c(ccc-6c47)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c4ccc(c1)c2c34.Cc1ccc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3c(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c2c1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc3c2-c2ccccc2)cc1.c1ccc(Cc2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5c(ccc-4c25)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C87H98.C73H46.C70H40.C66H39N.C64H38.C61H38/c1-49-30-31-64-69(36-49)73(53-43-60(86(20,21)22)48-61(44-53)87(23,24)25)79-68-35-34-66-74-65(32-33-67(75(68)74)78(79)72(64)52-41-58(84(14,15)16)47-59(42-52)85(17,18)19)76-70(50-37-54(80(2,3)4)45-55(38-50)81(5,6)7)62-28-26-27-29-63(62)71(77(66)76)51-39-56(82(8,9)10)46-57(40-51)83(11,12)13;1-42(2)51-39-49-28-27-47-29-32-52(55-34-31-50(40-51)62(49)63(47)55)48-30-33-56-61(41-48)67(46-23-13-6-14-24-46)73-60-38-37-58-68-57(35-36-59(69(60)68)72(73)66(56)45-21-11-5-12-22-45)70-64(43-17-7-3-8-18-43)53-25-15-16-26-54(53)65(71(58)70)44-19-9-4-10-20-44;1-5-16-41(17-6-1)61-50-26-13-14-27-51(50)62(42-18-7-2-8-19-42)68-55-38-39-57-66-56(37-36-54(65(55)66)67(61)68)69-63(43-20-9-3-10-21-43)53-35-32-48(40-58(53)64(70(57)69)44-22-11-4-12-23-44)49-33-30-47-29-28-45-24-15-25-46-31-34-52(49)60(47)59(45)46;1-5-19-40(20-6-1)57-47-29-13-14-30-48(47)58(41-21-7-2-8-22-41)64-51-37-38-53-62-52(36-35-50(61(51)62)63(57)64)65-59(42-23-9-3-10-24-42)49-34-33-44(39-54(49)60(66(53)65)43-25-11-4-12-26-43)67-55-31-17-15-27-45(55)46-28-16-18-32-56(46)67;1-5-19-40(20-6-1)55-47-29-15-16-30-48(47)56(41-21-7-2-8-22-41)62-51-36-37-53-60-52(35-34-50(59(51)60)61(55)62)63-57(42-23-9-3-10-24-42)49-33-32-44(46-31-17-27-39-18-13-14-28-45(39)46)38-54(49)58(64(53)63)43-25-11-4-12-26-43;1-6-18-38(19-7-1)36-39-30-31-46-51(37-39)55(43-26-14-5-15-27-43)61-50-35-34-48-56-47(32-33-49(57(50)56)60(61)54(46)42-24-12-4-13-25-42)58-52(40-20-8-2-9-21-40)44-28-16-17-29-45(44)53(59(48)58)41-22-10-3-11-23-41/h26-48H,1-25H3;3-42H,1-2H3;1-40H;1-39H;1-38H;1-35,37H,36H2
• InChIKey: KFPFMJXFAOGESY-UHFFFAOYSA-N
• XLogP: 119.10
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 31
• Heavy Atoms: 422
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	5372.03
LogP ≤ 5	119.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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?

The IUPAC name of 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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 (CID 159120191) is 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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.

What is the SMILES notation for 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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?

The canonical SMILES for 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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 is CC(C)c1cc2ccc3ccc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4ccc5c7c(ccc-6c47)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c4ccc(c1)c2c34.Cc1ccc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3c(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c2c1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3c2-c2ccccc2)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc3c2-c2ccccc2)cc1.c1ccc(Cc2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5c(ccc-4c25)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.

What is the InChIKey of 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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?

The InChIKey is KFPFMJXFAOGESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H98.C73H46.C70H40.C66H39N.C64H38.C61H38/c1-49-30-31-64-69(36-49)73(53-43-60(86(20,21)22)48-61(44-53)87(23,24)25)79-68-35-34-66-74-65(32-33-67(75(68)74)78(79)72(64)52-41-58(84(14,15)16)47-59(42-52)85(17,18)19)76-70(50-37-54(80(2,3)4)45-55(38-50)81(5,6)7)62-28-26-27-29-63(62)71(77(66)76)51-39-56(82(8,9)10)46-57(40-51)83(11,12)13;1-42(2)51-39-49-28-27-47-29-32-52(55-34-31-50(40-51)62(49)63(47)55)48-30-33-56-61(41-48)67(46-23-13-6-14-24-46)73-60-38-37-58-68-57(35-36-59(69(60)68)72(73)66(56)45-21-11-5-12-22-45)70-64(43-17-7-3-8-18-43)53-25-15-16-26-54(53)65(71(58)70)44-19-9-4-10-20-44;1-5-16-41(17-6-1)61-50-26-13-14-27-51(50)62(42-18-7-2-8-19-42)68-55-38-39-57-66-56(37-36-54(65(55)66)67(61)68)69-63(43-20-9-3-10-21-43)53-35-32-48(40-58(53)64(70(57)69)44-22-11-4-12-23-44)49-33-30-47-29-28-45-24-15-25-46-31-34-52(49)60(47)59(45)46;1-5-19-40(20-6-1)57-47-29-13-14-30-48(47)58(41-21-7-2-8-22-41)64-51-37-38-53-62-52(36-35-50(61(51)62)63(57)64)65-59(42-23-9-3-10-24-42)49-34-33-44(39-54(49)60(66(53)65)43-25-11-4-12-26-43)67-55-31-17-15-27-45(55)46-28-16-18-32-56(46)67;1-5-19-40(20-6-1)55-47-29-15-16-30-48(47)56(41-21-7-2-8-22-41)62-51-36-37-53-60-52(35-34-50(59(51)60)61(55)62)63-57(42-23-9-3-10-24-42)49-33-32-44(46-31-17-27-39-18-13-14-28-45(39)46)38-54(49)58(64(53)63)43-25-11-4-12-26-43;1-6-18-38(19-7-1)36-39-30-31-46-51(37-39)55(43-26-14-5-15-27-43)61-50-35-34-48-56-47(32-33-49(57(50)56)60(61)54(46)42-24-12-4-13-25-42)58-52(40-20-8-2-9-21-40)44-28-16-17-29-45(44)53(59(48)58)41-22-10-3-11-23-41/h26-48H,1-25H3;3-42H,1-2H3;1-40H;1-39H;1-38H;1-35,37H,36H2.

What are the key properties of 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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?

6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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 has a molecular weight of 5372.03 g/mol, XLogP of 119.10, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-3,10,17,24-tetraphenyloctacyclo[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;6-naphthalen-1-yl-3,10,17,24-tetraphenyloctacyclo[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;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-6-methyloctacyclo[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;9-(3,10,17,24-tetraphenyl-6-octacyclo[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-pentadecaenyl)carbazole;3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[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;3,10,17,24-tetraphenyl-6-pyren-1-yloctacyclo[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 is sourced from PubChem (CID 159120191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).