12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene

C252H150B8N14O6S2Se2 — CID 165097342

About 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene

12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene (PubChem CID 165097342) has the molecular formula C252H150B8N14O6S2Se2 and a molecular weight of 3778.61 g/mol. Its IUPAC name is 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene.

Molecular Properties

• Compound Name: 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene
• PubChem CID: 165097342
• Molecular Formula: C252H150B8N14O6S2Se2
• Molecular Weight: 3778.61 g/mol
• Exact Mass: 3779.04
• IUPAC Name: 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene
• SMILES: c1ccc(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2[se]c3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3cc5[se]c6ccccc6c5c(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3cc5oc6ccccc6c5c(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2sc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3cc5sc6ccccc6c5c(c32)N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4c3c2cc2oc3ccccc3c42)Oc2cc3oc4ccccc4c3c3c2B5c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C66H40B2N4O2.C66H40B2N4S2.C66H40B2N4Se2.C54H30B2N2O4/c3*1-5-21-41(22-6-1)69-51-33-17-15-31-47(51)67-50-37-49-53(38-54(50)72(44-27-11-4-12-28-44)66-62-46-30-14-20-36-58(46)73-59(62)39-55(69)63(66)67)70(42-23-7-2-8-24-42)56-40-60-61(45-29-13-19-35-57(45)74-60)65-64(56)68(49)48-32-16-18-34-52(48)71(65)43-25-9-3-10-26-43;1-3-15-31(16-4-1)57-39-23-11-9-21-35(39)55-38-27-37-44(29-45(38)62-54-50-34-20-8-14-26-43(34)59-46(50)28-41(57)51(54)55)61-48-30-47-49(33-19-7-13-25-42(33)60-47)53-52(48)56(37)36-22-10-12-24-40(36)58(53)32-17-5-2-6-18-32/h3*1-40H;1-30H
• InChIKey: XSOYISQKGKRAHC-UHFFFAOYSA-N
• XLogP: 51.11
• TPSA: 116.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3778.61
LogP ≤ 5	51.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene?

The IUPAC name of 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene (CID 165097342) is 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene.

What is the SMILES notation for 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene?

The canonical SMILES for 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene is c1ccc(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2[se]c3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3cc5[se]c6ccccc6c5c(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3cc5oc6ccccc6c5c(c32)N4c2ccccc2)cc1.c1ccc(N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2sc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3cc5sc6ccccc6c5c(c32)N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4c3c2cc2oc3ccccc3c42)Oc2cc3oc4ccccc4c3c3c2B5c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene?

The InChIKey is XSOYISQKGKRAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40B2N4O2.C66H40B2N4S2.C66H40B2N4Se2.C54H30B2N2O4/c3*1-5-21-41(22-6-1)69-51-33-17-15-31-47(51)67-50-37-49-53(38-54(50)72(44-27-11-4-12-28-44)66-62-46-30-14-20-36-58(46)73-59(62)39-55(69)63(66)67)70(42-23-7-2-8-24-42)56-40-60-61(45-29-13-19-35-57(45)74-60)65-64(56)68(49)48-32-16-18-34-52(48)71(65)43-25-9-3-10-26-43;1-3-15-31(16-4-1)57-39-23-11-9-21-35(39)55-38-27-37-44(29-45(38)62-54-50-34-20-8-14-26-43(34)59-46(50)28-41(57)51(54)55)61-48-30-47-49(33-19-7-13-25-42(33)60-47)53-52(48)56(37)36-22-10-12-24-40(36)58(53)32-17-5-2-6-18-32/h3*1-40H;1-30H.

What are the key properties of 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene?

12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene has a molecular weight of 3778.61 g/mol, XLogP of 51.11, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 12,42-diphenyl-21,25,29,38-tetraoxa-12,42-diaza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2,4(26),6,8,10,13,15,17,19,22,24(50),27,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dioxa-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-diselena-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene;12,25,29,42-tetraphenyl-21,38-dithia-12,25,29,42-tetraza-1,5-diboratridecacyclo[28.18.1.15,13.02,28.04,26.06,11.014,22.015,20.031,39.032,37.041,49.043,48.024,50]pentaconta-2(28),3,6,8,10,13(50),14(22),15,17,19,23,26,30(49),31(39),32,34,36,40,43,45,47-henicosaene is sourced from PubChem (CID 165097342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).