5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]

C361H234B8N12S16Si9 — CID 163606568

About 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]

5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] (PubChem CID 163606568) has the molecular formula C361H234B8N12S16Si9 and a molecular weight of 5592.27 g/mol. Its IUPAC name is 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline].

Molecular Properties

• Compound Name: 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]
• PubChem CID: 163606568
• Molecular Formula: C361H234B8N12S16Si9
• Molecular Weight: 5592.27 g/mol
• Exact Mass: 5587.29
• IUPAC Name: 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]
• SMILES: Cc1c(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc2c3c1Sc1cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc1B3c1ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc1S2.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cc4c5c(c3)Sc3ccc(N6c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7ccccc76)cc3B5c3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)ccc3S4)c3ccccc32)cc1.c1ccc2c(c1)Sc1cc(N3c4ccccc4[Si]4(c5ccccc53)c3ccccc3N(c3cc5c6c(c3)Sc3ccccc3B6c3ccccc3S5)c3ccccc34)cc3c1B2c1ccccc1S3.c1ccc2c(c1)Sc1cc(N3c4ccccc4[Si]4(c5ccccc53)c3ccccc3N(c3ccc5c(c3)B3c6ccccc6Sc6cccc(c63)S5)c3ccccc34)cc3c1B2c1ccccc1S3.c1ccc2c(c1)Sc1cccc3c1B2c1cc(N2c4ccccc4[Si]4(c5ccccc52)c2ccccc2N(c2ccc5c(c2)B2c6ccccc6Sc6cccc(c62)S5)c2ccccc24)ccc1S3
• InChI: InChI=1S/C91H64BN3S2Si3.C90H62BN3S2Si3.3C60H36B2N2S4Si/c1-63-80(95-78-48-24-30-54-88(78)100(70-40-16-6-17-41-70,71-42-18-7-19-43-71)89-55-31-25-49-79(89)95)62-83-90-91(63)97-82-61-65(94-76-46-22-28-52-86(76)99(68-36-12-4-13-37-68,69-38-14-5-15-39-69)87-53-29-23-47-77(87)94)57-59-73(82)92(90)72-58-56-64(60-81(72)96-83)93-74-44-20-26-50-84(74)98(66-32-8-2-9-33-66,67-34-10-3-11-35-67)85-51-27-21-45-75(85)93;1-7-31-66(32-8-1)97(67-33-9-2-10-34-67)84-49-25-19-43-74(84)92(75-44-20-26-50-85(75)97)63-55-57-80-72(59-63)91-73-60-64(93-76-45-21-27-51-86(76)98(68-35-11-3-12-36-68,69-37-13-4-14-38-69)87-52-28-22-46-77(87)93)56-58-81(73)96-83-62-65(61-82(95-80)90(83)91)94-78-47-23-29-53-88(78)99(70-39-15-5-16-40-70,71-41-17-6-18-42-71)89-54-30-24-48-79(89)94;1-9-25-47-39(17-1)61-40-18-2-10-26-48(40)66-52-34-37(33-51(65-47)59(52)61)63-43-21-5-13-29-55(43)69(56-30-14-6-22-44(56)63)57-31-15-7-23-45(57)64(46-24-8-16-32-58(46)69)38-35-53-60-54(36-38)68-50-28-12-4-20-42(50)62(60)41-19-3-11-27-49(41)67-53;1-9-24-48-39(16-1)61-40-17-2-10-25-49(40)68-54-36-38(35-53(67-48)60(54)61)64-45-21-6-13-30-57(45)69(58-31-14-7-22-46(58)64)55-28-11-4-19-43(55)63(44-20-5-12-29-56(44)69)37-32-33-50-42(34-37)62-41-18-3-8-23-47(41)65-51-26-15-27-52(66-50)59(51)62;1-7-21-47-39(15-1)61-41-35-37(31-33-49(41)67-53-25-13-23-51(65-47)59(53)61)63-43-17-3-9-27-55(43)69(56-28-10-4-18-44(56)63)57-29-11-5-19-45(57)64(46-20-6-12-30-58(46)69)38-32-34-50-42(36-38)62-40-16-2-8-22-48(40)66-52-24-14-26-54(68-50)60(52)62/h2-62H,1H3;1-62H;3*1-36H
• InChIKey: HCHWZDJKKWHJFV-UHFFFAOYSA-N
• XLogP: 54.10
• TPSA: 38.88 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 406
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5592.27
LogP ≤ 5	54.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

The IUPAC name of 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] (CID 163606568) is 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline].

What is the SMILES notation for 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

The canonical SMILES for 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] is Cc1c(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc2c3c1Sc1cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc1B3c1ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc1S2.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3cc4c5c(c3)Sc3ccc(N6c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7ccccc76)cc3B5c3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)ccc3S4)c3ccccc32)cc1.c1ccc2c(c1)Sc1cc(N3c4ccccc4[Si]4(c5ccccc53)c3ccccc3N(c3cc5c6c(c3)Sc3ccccc3B6c3ccccc3S5)c3ccccc34)cc3c1B2c1ccccc1S3.c1ccc2c(c1)Sc1cc(N3c4ccccc4[Si]4(c5ccccc53)c3ccccc3N(c3ccc5c(c3)B3c6ccccc6Sc6cccc(c63)S5)c3ccccc34)cc3c1B2c1ccccc1S3.c1ccc2c(c1)Sc1cccc3c1B2c1cc(N2c4ccccc4[Si]4(c5ccccc52)c2ccccc2N(c2ccc5c(c2)B2c6ccccc6Sc6cccc(c62)S5)c2ccccc24)ccc1S3.

What is the InChIKey of 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

The InChIKey is HCHWZDJKKWHJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H64BN3S2Si3.C90H62BN3S2Si3.3C60H36B2N2S4Si/c1-63-80(95-78-48-24-30-54-88(78)100(70-40-16-6-17-41-70,71-42-18-7-19-43-71)89-55-31-25-49-79(89)95)62-83-90-91(63)97-82-61-65(94-76-46-22-28-52-86(76)99(68-36-12-4-13-37-68,69-38-14-5-15-39-69)87-53-29-23-47-77(87)94)57-59-73(82)92(90)72-58-56-64(60-81(72)96-83)93-74-44-20-26-50-84(74)98(66-32-8-2-9-33-66,67-34-10-3-11-35-67)85-51-27-21-45-75(85)93;1-7-31-66(32-8-1)97(67-33-9-2-10-34-67)84-49-25-19-43-74(84)92(75-44-20-26-50-85(75)97)63-55-57-80-72(59-63)91-73-60-64(93-76-45-21-27-51-86(76)98(68-35-11-3-12-36-68,69-37-13-4-14-38-69)87-52-28-22-46-77(87)93)56-58-81(73)96-83-62-65(61-82(95-80)90(83)91)94-78-47-23-29-53-88(78)99(70-39-15-5-16-40-70,71-41-17-6-18-42-71)89-54-30-24-48-79(89)94;1-9-25-47-39(17-1)61-40-18-2-10-26-48(40)66-52-34-37(33-51(65-47)59(52)61)63-43-21-5-13-29-55(43)69(56-30-14-6-22-44(56)63)57-31-15-7-23-45(57)64(46-24-8-16-32-58(46)69)38-35-53-60-54(36-38)68-50-28-12-4-20-42(50)62(60)41-19-3-11-27-49(41)67-53;1-9-24-48-39(16-1)61-40-17-2-10-25-49(40)68-54-36-38(35-53(67-48)60(54)61)64-45-21-6-13-30-57(45)69(58-31-14-7-22-46(58)64)55-28-11-4-19-43(55)63(44-20-5-12-29-56(44)69)37-32-33-50-42(34-37)62-41-18-3-8-23-47(41)65-51-26-15-27-52(66-50)59(51)62;1-7-21-47-39(15-1)61-41-35-37(31-33-49(41)67-53-25-13-23-51(65-47)59(53)61)63-43-17-3-9-27-55(43)69(56-28-10-4-18-44(56)63)57-29-11-5-19-45(57)64(46-20-6-12-30-58(46)69)38-32-34-50-42(36-38)62-40-16-2-8-22-48(40)66-52-24-14-26-54(68-50)60(52)62/h2-62H,1H3;1-62H;3*1-36H.

What are the key properties of 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] has a molecular weight of 5592.27 g/mol, XLogP of 54.10, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4,18-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-methyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5,5'-bis(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5'-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-5-(8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] is sourced from PubChem (CID 163606568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).