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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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

C222H134B6N10O7Se — CID 164955645

IUPAC29-(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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3Oc3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3[Se]c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1
InChIInChI=1S/C78H48B2N4O2.C72H43B2N3O3.C72H43B2N3O2Se/c1-6-25-49(26-7-1)54-37-24-38-55(50-27-8-2-9-28-50)76(54)84-65-46-64-60(45-61(65)80-59-40-19-21-42-63(59)83(53-33-14-5-15-34-53)78-73-57-36-17-23-44-69(57)86-71(73)48-67(84)75(78)80)79-58-39-18-20-41-62(58)82(52-31-12-4-13-32-52)77-72-56-35-16-22-43-68(56)85-70(72)47-66(74(77)79)81(64)51-29-10-3-11-30-51;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(74-53-35-16-20-39-63(53)80-72-67-51-31-14-19-38-62(51)79-65(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)78-64(66)42-59(77)68(71)73;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/h1-48H;2*1-43H
InChIKeyBDBKJXFPKMDSOW-UHFFFAOYSA-N
MW3197.41 g/mol
LogP45.46
Rot. Bonds16

About 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 164955645) has the molecular formula C222H134B6N10O7Se and a molecular weight of 3197.41 g/mol. Its IUPAC name is 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 Name29-(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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 CID164955645
Molecular FormulaC222H134B6N10O7Se
Molecular Weight3197.41 g/mol
Exact Mass3197.02
IUPAC Name29-(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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3Oc3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3[Se]c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1
InChIInChI=1S/C78H48B2N4O2.C72H43B2N3O3.C72H43B2N3O2Se/c1-6-25-49(26-7-1)54-37-24-38-55(50-27-8-2-9-28-50)76(54)84-65-46-64-60(45-61(65)80-59-40-19-21-42-63(59)83(53-33-14-5-15-34-53)78-73-57-36-17-23-44-69(57)86-71(73)48-67(84)75(78)80)79-58-39-18-20-41-62(58)82(52-31-12-4-13-32-52)77-72-56-35-16-22-43-68(56)85-70(72)47-66(74(77)79)81(64)51-29-10-3-11-30-51;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(74-53-35-16-20-39-63(53)80-72-67-51-31-14-19-38-62(51)79-65(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)78-64(66)42-59(77)68(71)73;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/h1-48H;2*1-43H
InChIKeyBDBKJXFPKMDSOW-UHFFFAOYSA-N
XLogP45.46
TPSA120.47 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003197.41
LogP ≤ 545.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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-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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 164955645) is 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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-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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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-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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3N(c3ccccc3)c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3Oc3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5c3c2cc2oc3ccccc3c52)B2c3ccccc3[Se]c3c2c(cc2oc5ccccc5c32)N4c2ccccc2)cc1.
What is the InChIKey of 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 BDBKJXFPKMDSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48B2N4O2.C72H43B2N3O3.C72H43B2N3O2Se/c1-6-25-49(26-7-1)54-37-24-38-55(50-27-8-2-9-28-50)76(54)84-65-46-64-60(45-61(65)80-59-40-19-21-42-63(59)83(53-33-14-5-15-34-53)78-73-57-36-17-23-44-69(57)86-71(73)48-67(84)75(78)80)79-58-39-18-20-41-62(58)82(52-31-12-4-13-32-52)77-72-56-35-16-22-43-68(56)85-70(72)47-66(74(77)79)81(64)51-29-10-3-11-30-51;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(74-53-35-16-20-39-63(53)80-72-67-51-31-14-19-38-62(51)79-65(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)78-64(66)42-59(77)68(71)73;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/h1-48H;2*1-43H.
What are the key properties of 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 3197.41 g/mol, XLogP of 45.46, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-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;25-(2,6-diphenylphenyl)-12,29,42-triphenyl-21,33-dioxa-12,25,29,42-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-2,4(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 164955645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).