23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine

C192H104B6N10O3S6 — CID 160703775

IUPAC23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine
SMILESc1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1S2)oc1cc2c(cc13)B1c3c(cccc3-n3c4ccccc4c4cccc1c43)S2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c(cc2S3)oc2cc3c(cc24)B2c4c(cc(N(c5ccccc5)c5ccccc5)cc4-n4c5ccccc5c5cccc2c54)S3)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1S2)oc1cc2c(cc13)B1c3c(cc(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4cccc1c43)S2
InChIInChI=1S/C72H38B2N4OS2.C72H42B2N4OS2.C48H24B2N2OS2/c1-7-25-55-41(15-1)42-16-2-8-26-56(42)75(55)39-31-61-69-67(33-39)80-65-37-63-49(35-53(65)73(69)51-23-13-21-47-45-19-5-11-29-59(45)77(61)71(47)51)50-36-54-66(38-64(50)79-63)81-68-34-40(76-57-27-9-3-17-43(57)44-18-4-10-28-58(44)76)32-62-70(68)74(54)52-24-14-22-48-46-20-6-12-30-60(46)78(62)72(48)52;1-5-19-43(20-6-1)75(44-21-7-2-8-22-44)47-35-61-69-67(37-47)80-65-41-63-53(39-57(65)73(69)55-31-17-29-51-49-27-13-15-33-59(49)77(61)71(51)55)54-40-58-66(42-64(54)79-63)81-68-38-48(76(45-23-9-3-10-24-45)46-25-11-4-12-26-46)36-62-70(68)74(58)56-32-18-30-52-50-28-14-16-34-60(50)78(62)72(52)56;1-3-15-35-25(9-1)27-11-5-13-31-47(27)51(35)37-17-7-19-41-45(37)49(31)33-21-29-30-22-34-44(24-40(30)53-39(29)23-43(33)54-41)55-42-20-8-18-38-46(42)50(34)32-14-6-12-28-26-10-2-4-16-36(26)52(38)48(28)32/h1-38H;1-42H;1-24H
InChIKeyRQYKOYVXLMIWAJ-UHFFFAOYSA-N
MW2856.28 g/mol
LogP38.24
Rot. Bonds8

About 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine

23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine (PubChem CID 160703775) has the molecular formula C192H104B6N10O3S6 and a molecular weight of 2856.28 g/mol. Its IUPAC name is 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine.

Molecular Properties

Compound Name23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine
PubChem CID160703775
Molecular FormulaC192H104B6N10O3S6
Molecular Weight2856.28 g/mol
Exact Mass2854.72
IUPAC Name23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine
SMILESc1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1S2)oc1cc2c(cc13)B1c3c(cccc3-n3c4ccccc4c4cccc1c43)S2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c(cc2S3)oc2cc3c(cc24)B2c4c(cc(N(c5ccccc5)c5ccccc5)cc4-n4c5ccccc5c5cccc2c54)S3)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1S2)oc1cc2c(cc13)B1c3c(cc(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4cccc1c43)S2
InChIInChI=1S/C72H38B2N4OS2.C72H42B2N4OS2.C48H24B2N2OS2/c1-7-25-55-41(15-1)42-16-2-8-26-56(42)75(55)39-31-61-69-67(33-39)80-65-37-63-49(35-53(65)73(69)51-23-13-21-47-45-19-5-11-29-59(45)77(61)71(47)51)50-36-54-66(38-64(50)79-63)81-68-34-40(76-57-27-9-3-17-43(57)44-18-4-10-28-58(44)76)32-62-70(68)74(54)52-24-14-22-48-46-20-6-12-30-60(46)78(62)72(48)52;1-5-19-43(20-6-1)75(44-21-7-2-8-22-44)47-35-61-69-67(37-47)80-65-41-63-53(39-57(65)73(69)55-31-17-29-51-49-27-13-15-33-59(49)77(61)71(51)55)54-40-58-66(42-64(54)79-63)81-68-38-48(76(45-23-9-3-10-24-45)46-25-11-4-12-26-46)36-62-70(68)74(58)56-32-18-30-52-50-28-14-16-34-60(50)78(62)72(52)56;1-3-15-35-25(9-1)27-11-5-13-31-47(27)51(35)37-17-7-19-41-45(37)49(31)33-21-29-30-22-34-44(24-40(30)53-39(29)23-43(33)54-41)55-42-20-8-18-38-46(42)50(34)32-14-6-12-28-26-10-2-4-16-36(26)52(38)48(28)32/h1-38H;1-42H;1-24H
InChIKeyRQYKOYVXLMIWAJ-UHFFFAOYSA-N
XLogP38.24
TPSA85.34 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002856.28
LogP ≤ 538.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine?
The IUPAC name of 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine (CID 160703775) is 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine.
What is the SMILES notation for 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine?
The canonical SMILES for 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine is c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1S2)oc1cc2c(cc13)B1c3c(cccc3-n3c4ccccc4c4cccc1c43)S2.c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2cc4c(cc2S3)oc2cc3c(cc24)B2c4c(cc(N(c5ccccc5)c5ccccc5)cc4-n4c5ccccc5c5cccc2c54)S3)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)B3c1cc3c(cc1S2)oc1cc2c(cc13)B1c3c(cc(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4cccc1c43)S2.
What is the InChIKey of 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine?
The InChIKey is RQYKOYVXLMIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H38B2N4OS2.C72H42B2N4OS2.C48H24B2N2OS2/c1-7-25-55-41(15-1)42-16-2-8-26-56(42)75(55)39-31-61-69-67(33-39)80-65-37-63-49(35-53(65)73(69)51-23-13-21-47-45-19-5-11-29-59(45)77(61)71(47)51)50-36-54-66(38-64(50)79-63)81-68-34-40(76-57-27-9-3-17-43(57)44-18-4-10-28-58(44)76)32-62-70(68)74(54)52-24-14-22-48-46-20-6-12-30-60(46)78(62)72(48)52;1-5-19-43(20-6-1)75(44-21-7-2-8-22-44)47-35-61-69-67(37-47)80-65-41-63-53(39-57(65)73(69)55-31-17-29-51-49-27-13-15-33-59(49)77(61)71(51)55)54-40-58-66(42-64(54)79-63)81-68-38-48(76(45-23-9-3-10-24-45)46-25-11-4-12-26-46)36-62-70(68)74(58)56-32-18-30-52-50-28-14-16-34-60(50)78(62)72(52)56;1-3-15-35-25(9-1)27-11-5-13-31-47(27)51(35)37-17-7-19-41-45(37)49(31)33-21-29-30-22-34-44(24-40(30)53-39(29)23-43(33)54-41)55-42-20-8-18-38-46(42)50(34)32-14-6-12-28-26-10-2-4-16-36(26)52(38)48(28)32/h1-38H;1-42H;1-24H.
What are the key properties of 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine?
23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine has a molecular weight of 2856.28 g/mol, XLogP of 38.24, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 23,37-di(carbazol-9-yl)-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene;23-N,23-N,37-N,37-N-tetraphenyl-30-oxa-26,34-dithia-20,40-diaza-1,8-diborapentadecacyclo[33.16.1.18,21.19,13.140,47.02,33.04,31.05,29.07,27.014,19.039,52.041,46.020,55.025,54.051,53]pentapentaconta-2,4(31),5(29),6,9(55),10,12,14,16,18,21(54),22,24,27,32,35,37,39(52),41,43,45,47,49,51(53)-tetracosaene-23,37-diamine is sourced from PubChem (CID 160703775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).