11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene

C186H104B9N13OS4 — CID 163846872

About 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene

11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene (PubChem CID 163846872) has the molecular formula C186H104B9N13OS4 and a molecular weight of 2762.54 g/mol. Its IUPAC name is 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene.

Molecular Properties

• Compound Name: 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene
• PubChem CID: 163846872
• Molecular Formula: C186H104B9N13OS4
• Molecular Weight: 2762.54 g/mol
• Exact Mass: 2761.82
• IUPAC Name: 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene
• SMILES: c1ccc(N2c3ccccc3Sc3cc4c(cc32)N2c3ccccc3B3c5ccccc5N5c6ccccc6B6c7ccccc7N7c8cc9c(cc8B4c4c2c3c5c6c47)c2ccccc2n9-c2ccccc2)cc1.c1ccc(N2c3ccccc3Sc3cc4c(cc32)N2c3ccccc3B3c5ccccc5N5c6ccccc6B6c7ccccc7N7c8cc9oc%10ccccc%10c9cc8B4c4c2c3c5c6c47)cc1.c1ccc(N2c3ccccc3Sc3cc4c(cc32)N2c3ccccc3B3c5ccccc5N5c6ccccc6B6c7ccccc7N7c8cc9sc%10ccccc%10c9cc8B4c4c2c3c5c6c47)cc1
• InChI: InChI=1S/C66H38B3N5S.C60H33B3N4OS.C60H33B3N4S2/c1-3-19-39(20-4-1)70-49-28-12-7-23-41(49)42-35-47-56(37-55(42)70)73-52-31-15-10-26-45(52)67-43-24-8-13-29-50(43)72-51-30-14-9-25-44(51)68-46-27-11-16-32-53(46)74-57-38-58-60(36-48(57)69(47)63-65(73)61(67)64(72)62(68)66(63)74)75-59-34-18-17-33-54(59)71(58)40-21-5-2-6-22-40;1-2-16-34(17-3-1)64-47-27-13-15-29-53(47)69-54-31-42-48(32-50(54)64)66-45-25-11-7-21-39(45)61-37-19-5-9-23-43(37)65-44-24-10-6-20-38(44)62-40-22-8-12-26-46(40)67-49-33-52-36(35-18-4-14-28-51(35)68-52)30-41(49)63(42)57-59(66)55(61)58(65)56(62)60(57)67;1-2-16-34(17-3-1)64-47-27-13-15-29-52(47)69-54-31-42-48(32-50(54)64)66-45-25-11-7-21-39(45)61-37-19-5-9-23-43(37)65-44-24-10-6-20-38(44)62-40-22-8-12-26-46(40)67-49-33-53-36(35-18-4-14-28-51(35)68-53)30-41(49)63(42)57-59(66)55(61)58(65)56(62)60(57)67/h1-38H;2*1-33H
• InChIKey: OQYPXMSOKLNWQZ-UHFFFAOYSA-N
• XLogP: 29.74
• TPSA: 56.95 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2762.54
LogP ≤ 5	29.74
H-Bond Donors ≤ 5	0
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 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene?

The IUPAC name of 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene (CID 163846872) is 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene.

What is the SMILES notation for 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene?

The canonical SMILES for 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene is c1ccc(N2c3ccccc3Sc3cc4c(cc32)N2c3ccccc3B3c5ccccc5N5c6ccccc6B6c7ccccc7N7c8cc9c(cc8B4c4c2c3c5c6c47)c2ccccc2n9-c2ccccc2)cc1.c1ccc(N2c3ccccc3Sc3cc4c(cc32)N2c3ccccc3B3c5ccccc5N5c6ccccc6B6c7ccccc7N7c8cc9oc%10ccccc%10c9cc8B4c4c2c3c5c6c47)cc1.c1ccc(N2c3ccccc3Sc3cc4c(cc32)N2c3ccccc3B3c5ccccc5N5c6ccccc6B6c7ccccc7N7c8cc9sc%10ccccc%10c9cc8B4c4c2c3c5c6c47)cc1.

What is the InChIKey of 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene?

The InChIKey is OQYPXMSOKLNWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38B3N5S.C60H33B3N4OS.C60H33B3N4S2/c1-3-19-39(20-4-1)70-49-28-12-7-23-41(49)42-35-47-56(37-55(42)70)73-52-31-15-10-26-45(52)67-43-24-8-13-29-50(43)72-51-30-14-9-25-44(51)68-46-27-11-16-32-53(46)74-57-38-58-60(36-48(57)69(47)63-65(73)61(67)64(72)62(68)66(63)74)75-59-34-18-17-33-54(59)71(58)40-21-5-2-6-22-40;1-2-16-34(17-3-1)64-47-27-13-15-29-53(47)69-54-31-42-48(32-50(54)64)66-45-25-11-7-21-39(45)61-37-19-5-9-23-43(37)65-44-24-10-6-20-38(44)62-40-22-8-12-26-46(40)67-49-33-52-36(35-18-4-14-28-51(35)68-52)30-41(49)63(42)57-59(66)55(61)58(65)56(62)60(57)67;1-2-16-34(17-3-1)64-47-27-13-15-29-52(47)69-54-31-42-48(32-50(54)64)66-45-25-11-7-21-39(45)61-37-19-5-9-23-43(37)65-44-24-10-6-20-38(44)62-40-22-8-12-26-46(40)67-49-33-53-36(35-18-4-14-28-51(35)68-53)30-41(49)63(42)57-59(66)55(61)58(65)56(62)60(57)67/h1-38H;2*1-33H.

What are the key properties of 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene?

11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene has a molecular weight of 2762.54 g/mol, XLogP of 29.74, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11,47-diphenyl-54-thia-11,15,29,43,47-pentaza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58,60,62-heptacosaene;47-phenyl-11,54-dithia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene;47-phenyl-11-oxa-54-thia-15,29,43,47-tetraza-1,22,36-triboraheptadecacyclo[41.14.6.02,14.04,12.05,10.015,59.016,21.022,60.023,28.029,61.030,35.036,62.037,42.044,57.046,55.048,53.058,63]trihexaconta-2,4(12),5,7,9,13,16,18,20,23,25,27,30,32,34,37,39,41,44,46(55),48,50,52,56,58(63),59,61-heptacosaene is sourced from PubChem (CID 163846872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).