12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C382H254B8N16S4Se4 — CID 165072826

About 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 165072826) has the molecular formula C382H254B8N16S4Se4 and a molecular weight of 5598.95 g/mol. Its IUPAC name is 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 165072826
• Molecular Formula: C382H254B8N16S4Se4
• Molecular Weight: 5598.95 g/mol
• Exact Mass: 5599.67
• IUPAC Name: 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c(cc4c2[Se]c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2ccccc2N5c2c(-c4ccccc4)cccc2-c2ccccc2)B2c4ccccc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)S3)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c(cc4c2[Se]c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2ccccc2N5c2ccccc2)B2c4ccccc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)S3)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4cc5c(c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c4Sc4cc(N(c6ccccc6)c6ccccc6)cc2c43)[Se]c2cc(N(c3ccccc3)c3ccccc3)cc3c2B5c2ccccc2N3c2ccccc2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2B4c2cc4c(c(-c5ccccc5-c5cccc6ccccc56)c2S3)[Se]c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1
• InChI: InChI=1S/C108H72B2N4SSe.2C96H64B2N4SSe.C82H54B2N4SSe/c1-11-38-73(39-12-1)85-58-35-59-86(74-40-13-2-14-41-74)101(85)102-107-93(109-91-64-31-33-66-95(91)113(105-87(75-42-15-3-16-43-75)60-36-61-88(105)76-44-17-4-18-45-76)97-68-83(70-99(115-107)103(97)109)111(79-50-23-7-24-51-79)80-52-25-8-26-53-80)72-94-108(102)116-100-71-84(112(81-54-27-9-28-55-81)82-56-29-10-30-57-82)69-98-104(100)110(94)92-65-32-34-67-96(92)114(98)106-89(77-46-19-5-20-47-77)62-37-63-90(106)78-48-21-6-22-49-78;1-10-34-65(35-11-1)76-52-32-53-77(66-36-12-2-13-37-66)90(76)91-95-82(64-83-96(91)104-89-63-75(100(71-46-22-7-23-47-71)72-48-24-8-25-49-72)61-87-93(89)98(83)80-56-28-30-58-84(80)101(87)73-50-26-9-27-51-73)97-81-57-29-31-59-85(81)102(94-78(67-38-14-3-15-39-67)54-33-55-79(94)68-40-16-4-17-41-68)86-60-74(62-88(103-95)92(86)97)99(69-42-18-5-19-43-69)70-44-20-6-21-45-70;1-9-34-65(35-10-1)75-50-25-29-56-83(75)101-85-58-31-27-54-79(85)97-81-64-82-96(104-90-63-74(100(71-46-21-7-22-47-71)72-48-23-8-24-49-72)61-88-94(90)98(82)80-55-28-32-59-86(80)102(88)84-57-30-26-51-76(84)66-36-11-2-12-37-66)92(91-77(67-38-13-3-14-39-67)52-33-53-78(91)68-40-15-4-16-41-68)95(81)103-89-62-73(60-87(101)93(89)97)99(69-42-17-5-18-43-69)70-44-19-6-20-45-70;1-7-30-56(31-8-1)85(57-32-9-2-10-33-57)62-50-74-79-76(52-62)89-81-70(83(79)68-46-23-25-48-72(68)87(74)60-38-15-5-16-39-60)54-71-82(78(81)67-44-22-21-43-66(67)65-45-27-29-55-28-19-20-42-64(55)65)90-77-53-63(86(58-34-11-3-12-35-58)59-36-13-4-14-37-59)51-75-80(77)84(71)69-47-24-26-49-73(69)88(75)61-40-17-6-18-41-61/h1-72H;2*1-64H;1-54H
• InChIKey: TUVGXDJOAKIENW-UHFFFAOYSA-N
• XLogP: 79.46
• TPSA: 51.84 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 51
• Heavy Atoms: 414
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5598.95
LogP ≤ 5	79.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 165072826) is 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c(cc4c2[Se]c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2ccccc2N5c2c(-c4ccccc4)cccc2-c2ccccc2)B2c4ccccc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)S3)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2c3c(cc4c2[Se]c2cc(N(c5ccccc5)c5ccccc5)cc5c2B4c2ccccc2N5c2ccccc2)B2c4ccccc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)S3)cc1.c1ccc(-c2ccccc2N2c3ccccc3B3c4cc5c(c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c4Sc4cc(N(c6ccccc6)c6ccccc6)cc2c43)[Se]c2cc(N(c3ccccc3)c3ccccc3)cc3c2B5c2ccccc2N3c2ccccc2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2B4c2cc4c(c(-c5ccccc5-c5cccc6ccccc56)c2S3)[Se]c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2)cc1.

What is the InChIKey of 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is TUVGXDJOAKIENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H72B2N4SSe.2C96H64B2N4SSe.C82H54B2N4SSe/c1-11-38-73(39-12-1)85-58-35-59-86(74-40-13-2-14-41-74)101(85)102-107-93(109-91-64-31-33-66-95(91)113(105-87(75-42-15-3-16-43-75)60-36-61-88(105)76-44-17-4-18-45-76)97-68-83(70-99(115-107)103(97)109)111(79-50-23-7-24-51-79)80-52-25-8-26-53-80)72-94-108(102)116-100-71-84(112(81-54-27-9-28-55-81)82-56-29-10-30-57-82)69-98-104(100)110(94)92-65-32-34-67-96(92)114(98)106-89(77-46-19-5-20-47-77)62-37-63-90(106)78-48-21-6-22-49-78;1-10-34-65(35-11-1)76-52-32-53-77(66-36-12-2-13-37-66)90(76)91-95-82(64-83-96(91)104-89-63-75(100(71-46-22-7-23-47-71)72-48-24-8-25-49-72)61-87-93(89)98(83)80-56-28-30-58-84(80)101(87)73-50-26-9-27-51-73)97-81-57-29-31-59-85(81)102(94-78(67-38-14-3-15-39-67)54-33-55-79(94)68-40-16-4-17-41-68)86-60-74(62-88(103-95)92(86)97)99(69-42-18-5-19-43-69)70-44-20-6-21-45-70;1-9-34-65(35-10-1)75-50-25-29-56-83(75)101-85-58-31-27-54-79(85)97-81-64-82-96(104-90-63-74(100(71-46-21-7-22-47-71)72-48-23-8-24-49-72)61-88-94(90)98(82)80-55-28-32-59-86(80)102(88)84-57-30-26-51-76(84)66-36-11-2-12-37-66)92(91-77(67-38-13-3-14-39-67)52-33-53-78(91)68-40-15-4-16-41-68)95(81)103-89-62-73(60-87(101)93(89)97)99(69-42-17-5-18-43-69)70-44-19-6-20-45-70;1-7-30-56(31-8-1)85(57-32-9-2-10-33-57)62-50-74-79-76(52-62)89-81-70(83(79)68-46-23-25-48-72(68)87(74)60-38-15-5-16-39-60)54-71-82(78(81)67-44-22-21-43-66(67)65-45-27-29-55-28-19-20-42-64(55)65)90-77-53-63(86(58-34-11-3-12-35-58)59-36-13-4-14-37-59)51-75-80(77)84(71)69-47-24-26-49-73(69)88(75)61-40-17-6-18-41-61/h1-72H;2*1-64H;1-54H.

What are the key properties of 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 5598.95 g/mol, XLogP of 79.46, 51 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 12,20-bis(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-12,28-bis(2-phenylphenyl)-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;20-(2-naphthalen-1-ylphenyl)-15-N,15-N,25-N,25-N,12,28-hexakis-phenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;12,20,28-tris(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetraphenyl-18-thia-22-selena-12,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 165072826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).