[4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene

C332H268B4 — CID 159880214

About [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene

[4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene (PubChem CID 159880214) has the molecular formula C332H268B4 and a molecular weight of 4301.04 g/mol. Its IUPAC name is [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene.

Molecular Properties

• Compound Name: [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene
• PubChem CID: 159880214
• Molecular Formula: C332H268B4
• Molecular Weight: 4301.04 g/mol
• Exact Mass: 4298.13
• IUPAC Name: [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene
• SMILES: CC1(C)c2cc3c(cc2C(C)(C)c2cc4c(cc21)-c1ccc2c5c(ccc-4c15)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.CCC1(CC)c2cc3c(cc2C(CC)(CC)c2cc4c(cc21)-c1ccc2c5c(ccc-4c15)-c1c-2c(-c2ccc(C)cc2)c2ccccc2c1-c1ccc(C)cc1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccc(C)cc2)c2ccccc2c1-c1ccc(C)cc1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)-c2cc4c(cc2-3)C(C)(C)c2cc3c(cc2C4(C)C)-c2ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c4cccc-3c24)c(C)c1.Cc1cc(C)c(B(c2ccc(-c3ccc4c5c(cccc35)-c3cc5c(cc3-4)C(C)(C)c3cc4c(cc3C5(C)C)-c3ccc(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)c5cccc-4c35)cc2)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C90H68.C86H78B2.C82H52.C74H70B2/c1-9-89(10-2)73-45-69-61-37-41-65-83-67(87-79(55-33-25-51(7)26-34-55)59-19-15-13-17-57(59)77(85(65)87)53-29-21-49(5)22-30-53)43-39-63(81(61)83)71(69)47-75(73)90(11-3,12-4)76-48-72-64-40-44-68-84-66(42-38-62(82(64)84)70(72)46-74(76)89)86-78(54-31-23-50(6)24-32-54)58-18-14-16-20-60(58)80(88(68)86)56-35-27-52(8)28-36-56;1-47-35-51(5)81(52(6)36-47)87(82-53(7)37-48(2)38-54(82)8)61-27-23-59(24-28-61)63-31-33-69-73-45-77-75(43-71(73)67-21-17-19-65(63)79(67)69)85(13,14)78-46-74-70-34-32-64(66-20-18-22-68(80(66)70)72(74)44-76(78)86(77,15)16)60-25-29-62(30-26-60)88(83-55(9)39-49(3)40-56(83)10)84-57(11)41-50(4)42-58(84)12;1-81(2)65-41-61-53-33-37-57-75-59(79-71(47-25-13-7-14-26-47)51-31-19-17-29-49(51)69(77(57)79)45-21-9-5-10-22-45)39-35-55(73(53)75)63(61)43-67(65)82(3,4)68-44-64-56-36-40-60-76-58(38-34-54(74(56)76)62(64)42-66(68)81)78-70(46-23-11-6-12-24-46)50-30-18-20-32-52(50)72(80(60)78)48-27-15-8-16-28-48;1-39-27-43(5)69(44(6)28-39)75(70-45(7)29-40(2)30-46(70)8)65-25-23-53-59-37-63-61(35-57(59)51-19-17-21-55(65)67(51)53)73(13,14)64-38-60-54-24-26-66(56-22-18-20-52(68(54)56)58(60)36-62(64)74(63,15)16)76(71-47(9)31-41(3)32-48(71)10)72-49(11)33-42(4)34-50(72)12/h13-48H,9-12H2,1-8H3;17-46H,1-16H3;5-44H,1-4H3;17-38H,1-16H3
• InChIKey: NTKUKJHQOPWQGR-UHFFFAOYSA-N
• XLogP: 81.15
• TPSA: 0.00 Ų
• Rotatable Bonds: 26
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4301.04
LogP ≤ 5	81.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene?

The IUPAC name of [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene (CID 159880214) is [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene.

What is the SMILES notation for [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene?

The canonical SMILES for [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene is CC1(C)c2cc3c(cc2C(C)(C)c2cc4c(cc21)-c1ccc2c5c(ccc-4c15)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.CCC1(CC)c2cc3c(cc2C(CC)(CC)c2cc4c(cc21)-c1ccc2c5c(ccc-4c15)-c1c-2c(-c2ccc(C)cc2)c2ccccc2c1-c1ccc(C)cc1)-c1ccc2c4c(ccc-3c14)-c1c-2c(-c2ccc(C)cc2)c2ccccc2c1-c1ccc(C)cc1.Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3c4c(cccc24)-c2cc4c(cc2-3)C(C)(C)c2cc3c(cc2C4(C)C)-c2ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c4cccc-3c24)c(C)c1.Cc1cc(C)c(B(c2ccc(-c3ccc4c5c(cccc35)-c3cc5c(cc3-4)C(C)(C)c3cc4c(cc3C5(C)C)-c3ccc(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)c5cccc-4c35)cc2)c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene?

The InChIKey is NTKUKJHQOPWQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H68.C86H78B2.C82H52.C74H70B2/c1-9-89(10-2)73-45-69-61-37-41-65-83-67(87-79(55-33-25-51(7)26-34-55)59-19-15-13-17-57(59)77(85(65)87)53-29-21-49(5)22-30-53)43-39-63(81(61)83)71(69)47-75(73)90(11-3,12-4)76-48-72-64-40-44-68-84-66(42-38-62(82(64)84)70(72)46-74(76)89)86-78(54-31-23-50(6)24-32-54)58-18-14-16-20-60(58)80(88(68)86)56-35-27-52(8)28-36-56;1-47-35-51(5)81(52(6)36-47)87(82-53(7)37-48(2)38-54(82)8)61-27-23-59(24-28-61)63-31-33-69-73-45-77-75(43-71(73)67-21-17-19-65(63)79(67)69)85(13,14)78-46-74-70-34-32-64(66-20-18-22-68(80(66)70)72(74)44-76(78)86(77,15)16)60-25-29-62(30-26-60)88(83-55(9)39-49(3)40-56(83)10)84-57(11)41-50(4)42-58(84)12;1-81(2)65-41-61-53-33-37-57-75-59(79-71(47-25-13-7-14-26-47)51-31-19-17-29-49(51)69(77(57)79)45-21-9-5-10-22-45)39-35-55(73(53)75)63(61)43-67(65)82(3,4)68-44-64-56-36-40-60-76-58(38-34-54(74(56)76)62(64)42-66(68)81)78-70(46-23-11-6-12-24-46)50-30-18-20-32-52(50)72(80(60)78)48-27-15-8-16-28-48;1-39-27-43(5)69(44(6)28-39)75(70-45(7)29-40(2)30-46(70)8)65-25-23-53-59-37-63-61(35-57(59)51-19-17-21-55(65)67(51)53)73(13,14)64-38-60-54-24-26-66(56-22-18-20-52(68(54)56)58(60)36-62(64)74(63,15)16)76(71-47(9)31-41(3)32-48(71)10)72-49(11)33-42(4)34-50(72)12/h13-48H,9-12H2,1-8H3;17-46H,1-16H3;5-44H,1-4H3;17-38H,1-16H3.

What are the key properties of [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene?

[4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene has a molecular weight of 4301.04 g/mol, XLogP of 81.15, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[28-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[28-bis(2,4,6-trimethylphenyl)boranyl-5,5,21,21-tetramethyl-12-nonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4(22),6(20),7,9(34),10,12,14,16,18,23,25(33),26,28,30-hexadecaenyl]-bis(2,4,6-trimethylphenyl)borane;5,5,30,30-tetraethyl-14,21,39,46-tetrakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene;5,5,30,30-tetramethyl-14,21,39,46-tetraphenylpentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4(31),6(29),7,9,11,13,15,17,19,21,23,25,27,32,34,36,38,40,42,44,46,48(52),49,53-hexacosaene is sourced from PubChem (CID 159880214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).