29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene

C236H156B6N12O4S2 — CID 165081654

About 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene

29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene (PubChem CID 165081654) has the molecular formula C236H156B6N12O4S2 and a molecular weight of 3352.93 g/mol. Its IUPAC name is 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene.

Molecular Properties

• Compound Name: 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene
• PubChem CID: 165081654
• Molecular Formula: C236H156B6N12O4S2
• Molecular Weight: 3352.93 g/mol
• Exact Mass: 3351.24
• IUPAC Name: 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene
• SMILES: CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3Oc3c2c(cc2c3c3ccccc3n2-c2ccccc2)N4)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5Oc5c3c2cc2c5c3ccccc3n2-c2ccccc2)B2c3ccccc3Sc3c2c(cc2c3c3ccccc3n2-c2ccccc2)N4)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Oc5c3c2cc2sc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2c3c3ccccc3n2-c2ccccc2)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
• InChI: InChI=1S/C84H52B2N4OS.C80H60B2N4O2.C72H44B2N4OS/c1-6-27-53(28-7-1)58-37-16-21-44-67(58)89-70-50-71-66(49-65(70)86-64-43-20-24-47-75(64)91-84-79-62-39-18-25-48-76(62)92-77(79)52-74(89)81(84)86)85-63-42-19-23-46-69(63)88(57-35-14-5-15-36-57)83-78-61-38-17-22-45-68(61)87(56-33-12-4-13-34-56)72(78)51-73(80(83)85)90(71)82-59(54-29-8-2-9-30-54)40-26-41-60(82)55-31-10-3-11-32-55;1-79(2,3)50-40-36-48(37-41-50)54-28-21-29-55(49-38-42-51(43-39-49)80(4,5)6)76(54)86-66-45-62-60(82-59-31-16-20-35-70(59)88-78-72-56-26-13-17-32-64(56)84(52-22-9-7-10-23-52)67(72)46-63(83-62)74(78)82)44-61(66)81-58-30-15-18-33-65(58)85(53-24-11-8-12-25-53)77-73-57-27-14-19-34-69(57)87-71(73)47-68(86)75(77)81;1-5-22-44(23-6-1)48-32-21-33-49(45-24-7-2-8-25-45)70(48)78-60-41-56-54(74-53-35-16-20-39-65(53)80-72-67-51-31-14-18-37-59(51)76(46-26-9-3-10-27-46)61(67)42-57(75-56)68(72)74)40-55(60)73-52-34-15-19-38-64(52)79-71-66-50-30-13-17-36-58(50)77(47-28-11-4-12-29-47)62(66)43-63(78)69(71)73/h1-52H;7-47,83H,1-6H3;1-43,75H
• InChIKey: VFMXRDIXIVHWCV-UHFFFAOYSA-N
• XLogP: 50.67
• TPSA: 104.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3352.93
LogP ≤ 5	50.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene?

The IUPAC name of 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene (CID 165081654) is 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene.

What is the SMILES notation for 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene?

The canonical SMILES for 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene is CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3Oc3c2c(cc2c3c3ccccc3n2-c2ccccc2)N4)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5Oc5c3c2cc2c5c3ccccc3n2-c2ccccc2)B2c3ccccc3Sc3c2c(cc2c3c3ccccc3n2-c2ccccc2)N4)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Oc5c3c2cc2sc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2c3c3ccccc3n2-c2ccccc2)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.

What is the InChIKey of 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene?

The InChIKey is VFMXRDIXIVHWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52B2N4OS.C80H60B2N4O2.C72H44B2N4OS/c1-6-27-53(28-7-1)58-37-16-21-44-67(58)89-70-50-71-66(49-65(70)86-64-43-20-24-47-75(64)91-84-79-62-39-18-25-48-76(62)92-77(79)52-74(89)81(84)86)85-63-42-19-23-46-69(63)88(57-35-14-5-15-36-57)83-78-61-38-17-22-45-68(61)87(56-33-12-4-13-34-56)72(78)51-73(80(83)85)90(71)82-59(54-29-8-2-9-30-54)40-26-41-60(82)55-31-10-3-11-32-55;1-79(2,3)50-40-36-48(37-41-50)54-28-21-29-55(49-38-42-51(43-39-49)80(4,5)6)76(54)86-66-45-62-60(82-59-31-16-20-35-70(59)88-78-72-56-26-13-17-32-64(56)84(52-22-9-7-10-23-52)67(72)46-63(83-62)74(78)82)44-61(66)81-58-30-15-18-33-65(58)85(53-24-11-8-12-25-53)77-73-57-27-14-19-34-69(57)87-71(73)47-68(86)75(77)81;1-5-22-44(23-6-1)48-32-21-33-49(45-24-7-2-8-25-45)70(48)78-60-41-56-54(74-53-35-16-20-39-65(53)80-72-67-51-31-14-18-37-59(51)76(46-26-9-3-10-27-46)61(67)42-57(75-56)68(72)74)40-55(60)73-52-34-15-19-38-64(52)79-71-66-50-30-13-17-36-58(50)77(47-28-11-4-12-29-47)62(66)43-63(78)69(71)73/h1-52H;7-47,83H,1-6H3;1-43,75H.

What are the key properties of 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene?

29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene has a molecular weight of 3352.93 g/mol, XLogP of 50.67, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 29-[2,6-bis(4-tert-butylphenyl)phenyl]-21,42-diphenyl-12,33-dioxa-21,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30,32(40),34,36,38,41(49),43,45,47-henicosaene;25-(2,6-diphenylphenyl)-21,33-diphenyl-12-oxa-42-thia-21,25,29,33-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-33,42-diphenyl-25-(2-phenylphenyl)-12-oxa-21-thia-25,29,33,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.032,40.034,39.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13(50),14(22),15,17,19,23,27,30(49),31,34,36,38,40,43,45,47-henicosaene is sourced from PubChem (CID 165081654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).