29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene

C234H141B6N9O7SSe — CID 165104829

About 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene

29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene (PubChem CID 165104829) has the molecular formula C234H141B6N9O7SSe and a molecular weight of 3366.66 g/mol. Its IUPAC name is 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene.

Molecular Properties

• Compound Name: 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene
• PubChem CID: 165104829
• Molecular Formula: C234H141B6N9O7SSe
• Molecular Weight: 3366.66 g/mol
• Exact Mass: 3366.04
• IUPAC Name: 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3N3c4cc5c(cc4B4c6ccccc6N(c6ccccc6)c6c4c3cc3oc4ccccc4c63)B3c4ccccc4Oc4c3c(cc3oc6ccccc6c43)N5c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3[Se]c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Sc5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2oc5ccccc5c32)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
• InChI: InChI=1S/C84H51B2N3O3.C78H47B2N3O2S.C72H43B2N3O2Se/c1-5-24-52(25-6-1)54-28-21-30-56(46-54)60-38-23-39-61(57-31-22-29-55(47-57)53-26-7-2-8-27-53)82(60)89-70-49-69-66(86-65-41-16-20-45-75(65)92-84-79-63-37-14-19-44-74(63)91-77(79)51-72(81(84)86)87(69)58-32-9-3-10-33-58)48-67(70)85-64-40-15-17-42-68(64)88(59-34-11-4-12-35-59)83-78-62-36-13-18-43-73(62)90-76(78)50-71(89)80(83)85;1-5-24-48(25-6-1)52-32-13-18-39-61(52)82-63-45-64-60(44-59(63)80-58-38-17-22-43-71(58)86-78-73-56-34-15-21-42-68(56)85-70(73)47-66(82)75(78)80)79-57-37-16-19-40-62(57)81(51-30-11-4-12-31-51)77-72-55-33-14-20-41-67(55)84-69(72)46-65(74(77)79)83(64)76-53(49-26-7-2-8-27-49)35-23-36-54(76)50-28-9-3-10-29-50;1-5-22-44(23-6-1)48-32-21-33-49(45-24-7-2-8-25-45)70(48)77-58-41-57-54(74-53-35-16-20-39-65(53)80-72-67-51-31-14-19-38-62(51)79-64(67)43-60(69(72)74)75(57)46-26-9-3-10-27-46)40-55(58)73-52-34-15-17-36-56(52)76(47-28-11-4-12-29-47)71-66-50-30-13-18-37-61(50)78-63(66)42-59(77)68(71)73/h1-51H;1-47H;1-43H
• InChIKey: YYHSWAGDMXAJNS-UHFFFAOYSA-N
• XLogP: 49.14
• TPSA: 117.23 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3366.66
LogP ≤ 5	49.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene?

The IUPAC name of 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene (CID 165104829) is 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene.

What is the SMILES notation for 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene?

The canonical SMILES for 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3N3c4cc5c(cc4B4c6ccccc6N(c6ccccc6)c6c4c3cc3oc4ccccc4c63)B3c4ccccc4Oc4c3c(cc3oc6ccccc6c43)N5c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3[Se]c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2ccccc2N2c3cc4c(cc3B3c5ccccc5Sc5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2oc5ccccc5c32)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.

What is the InChIKey of 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene?

The InChIKey is YYHSWAGDMXAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51B2N3O3.C78H47B2N3O2S.C72H43B2N3O2Se/c1-5-24-52(25-6-1)54-28-21-30-56(46-54)60-38-23-39-61(57-31-22-29-55(47-57)53-26-7-2-8-27-53)82(60)89-70-49-69-66(86-65-41-16-20-45-75(65)92-84-79-63-37-14-19-44-74(63)91-77(79)51-72(81(84)86)87(69)58-32-9-3-10-33-58)48-67(70)85-64-40-15-17-42-68(64)88(59-34-11-4-12-35-59)83-78-62-36-13-18-43-73(62)90-76(78)50-71(89)80(83)85;1-5-24-48(25-6-1)52-32-13-18-39-61(52)82-63-45-64-60(44-59(63)80-58-38-17-22-43-71(58)86-78-73-56-34-15-21-42-68(56)85-70(73)47-66(82)75(78)80)79-57-37-16-19-40-62(57)81(51-30-11-4-12-31-51)77-72-55-33-14-20-41-67(55)84-69(72)46-65(74(77)79)83(64)76-53(49-26-7-2-8-27-49)35-23-36-54(76)50-28-9-3-10-29-50;1-5-22-44(23-6-1)48-32-21-33-49(45-24-7-2-8-25-45)70(48)77-58-41-57-54(74-53-35-16-20-39-65(53)80-72-67-51-31-14-19-38-62(51)79-64(67)43-60(69(72)74)75(57)46-26-9-3-10-27-46)40-55(58)73-52-34-15-17-36-56(52)76(47-28-11-4-12-29-47)71-66-50-30-13-18-37-61(50)78-63(66)42-59(77)68(71)73/h1-51H;1-47H;1-43H.

What are the key properties of 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene?

29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene has a molecular weight of 3366.66 g/mol, XLogP of 49.14, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 29-[2,6-bis(3-phenylphenyl)phenyl]-25,42-diphenyl-12,21,33-trioxa-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-25,42-diphenyl-21,33-dioxa-12-selena-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene;29-(2,6-diphenylphenyl)-42-phenyl-25-(2-phenylphenyl)-21,33-dioxa-12-thia-25,29,42-triaza-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),15,17,19,23,27,30,32(40),34,36,38,41(49),43,45,47-henicosaene is sourced from PubChem (CID 165104829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).