5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C316H222B4N10S8Si10 — CID 163790593

IUPAC5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cc2c3c(c1)Sc1cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc1B3c1ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc1S2.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Sc1cccc3c1B2c1ccc(N2c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc42)cc1S3.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)Sc3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc5c3B4c3ccc(N4c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc64)cc3S5)c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)Sc3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc5c3B4c3ccccc3S5)c3ccccc32)cc1
InChIInChI=1S/C92H66BN3S2Si3.C90H62BN3S2Si3.C68H49BN2S2Si2.C66H45BN2S2Si2/c1-63-49-55-80-90(57-63)101(72-37-17-7-18-38-72,73-39-19-8-20-40-73)91-58-64(2)50-56-81(91)96(80)67-61-84-92-85(62-67)98-83-60-66(95-78-43-23-27-47-88(78)100(70-33-13-5-14-34-70,71-35-15-6-16-36-71)89-48-28-24-44-79(89)95)52-54-75(83)93(92)74-53-51-65(59-82(74)97-84)94-76-41-21-25-45-86(76)99(68-29-9-3-10-30-68,69-31-11-4-12-32-69)87-46-26-22-42-77(87)94;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)63-55-57-72-80(59-63)95-82-61-65(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)62-83-90(82)91(72)73-58-56-64(60-81(73)96-83)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;1-46-34-40-58-66(42-46)75(52-24-11-5-12-25-52,53-26-13-6-14-27-53)67-43-47(2)35-41-59(67)71(58)49-37-39-55-63(45-49)73-61-31-19-30-60-68(61)69(55)54-38-36-48(44-62(54)72-60)70-56-28-15-17-32-64(56)74(50-20-7-3-8-21-50,51-22-9-4-10-23-51)65-33-18-16-29-57(65)70;1-5-23-48(24-6-1)72(49-25-7-2-8-26-49)62-37-19-14-32-54(62)68(55-33-15-20-38-63(55)72)46-41-42-53-59(43-46)71-61-45-47(44-60-66(61)67(53)52-31-13-18-36-58(52)70-60)69-56-34-16-21-39-64(56)73(50-27-9-3-10-28-50,51-29-11-4-12-30-51)65-40-22-17-35-57(65)69/h3-62H,1-2H3;1-62H;3-45H,1-2H3;1-45H
InChIKeyMWJILRNJJKNSOB-UHFFFAOYSA-N
MW4739.97 g/mol
LogP45.37
Rot. Bonds30

About 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline

5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 163790593) has the molecular formula C316H222B4N10S8Si10 and a molecular weight of 4739.97 g/mol. Its IUPAC name is 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID163790593
Molecular FormulaC316H222B4N10S8Si10
Molecular Weight4739.97 g/mol
Exact Mass4735.35
IUPAC Name5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cc2c3c(c1)Sc1cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc1B3c1ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc1S2.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Sc1cccc3c1B2c1ccc(N2c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc42)cc1S3.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)Sc3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc5c3B4c3ccc(N4c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc64)cc3S5)c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)Sc3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc5c3B4c3ccccc3S5)c3ccccc32)cc1
InChIInChI=1S/C92H66BN3S2Si3.C90H62BN3S2Si3.C68H49BN2S2Si2.C66H45BN2S2Si2/c1-63-49-55-80-90(57-63)101(72-37-17-7-18-38-72,73-39-19-8-20-40-73)91-58-64(2)50-56-81(91)96(80)67-61-84-92-85(62-67)98-83-60-66(95-78-43-23-27-47-88(78)100(70-33-13-5-14-34-70,71-35-15-6-16-36-71)89-48-28-24-44-79(89)95)52-54-75(83)93(92)74-53-51-65(59-82(74)97-84)94-76-41-21-25-45-86(76)99(68-29-9-3-10-30-68,69-31-11-4-12-32-69)87-46-26-22-42-77(87)94;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)63-55-57-72-80(59-63)95-82-61-65(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)62-83-90(82)91(72)73-58-56-64(60-81(73)96-83)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;1-46-34-40-58-66(42-46)75(52-24-11-5-12-25-52,53-26-13-6-14-27-53)67-43-47(2)35-41-59(67)71(58)49-37-39-55-63(45-49)73-61-31-19-30-60-68(61)69(55)54-38-36-48(44-62(54)72-60)70-56-28-15-17-32-64(56)74(50-20-7-3-8-21-50,51-22-9-4-10-23-51)65-33-18-16-29-57(65)70;1-5-23-48(24-6-1)72(49-25-7-2-8-26-49)62-37-19-14-32-54(62)68(55-33-15-20-38-63(55)72)46-41-42-53-59(43-46)71-61-45-47(44-60-66(61)67(53)52-31-13-18-36-58(52)70-60)69-56-34-16-21-39-64(56)73(50-27-9-3-10-28-50,51-29-11-4-12-30-51)65-40-22-17-35-57(65)69/h3-62H,1-2H3;1-62H;3-45H,1-2H3;1-45H
InChIKeyMWJILRNJJKNSOB-UHFFFAOYSA-N
XLogP45.37
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004739.97
LogP ≤ 545.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 163790594
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
5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dioxa-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-[17-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 163622558
5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dioxa-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 163484584
[4-(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),15,17,19-nonaen-11-yl]-triphenylsilane
CID 163446392
5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[2-spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]-5-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-8-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 159009974
5-[3-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]phenyl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140856458
5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-(2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-22-phenyl-8,14-dithia-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene;2,8-dimethyl-10,10-diphenyl-5-(8,14,22-triphenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzo[b][1,4]benzazasiline
CID 159369535
9,9-diphenyl-22-thia-2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene
CID 162700949
5-[8,14-bis[2,4,6-tri(propan-2-yl)phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 159369539
[11-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8-oxa-14-thia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-17-yl]-triphenylsilane;10,10-diphenyl-5-[18-(trifluoromethyl)-8-oxa-14-thia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-11-yl]benzo[b][1,4]benzazasiline;5-(5-methyl-8-oxa-14-thia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 163619551
2-dibenzothiophen-3-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)-8,10,10-triphenylbenzo[b][1,4]benzazasiline
CID 163423988

Frequently Asked Questions

What is the IUPAC name of 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 163790593) is 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cc2c3c(c1)Sc1cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc1B3c1ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc1S2.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)Sc1cccc3c1B2c1ccc(N2c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc42)cc1S3.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)Sc3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc5c3B4c3ccc(N4c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc64)cc3S5)c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)Sc3cc(N5c6ccccc6[Si](c6ccccc6)(c6ccccc6)c6ccccc65)cc5c3B4c3ccccc3S5)c3ccccc32)cc1.
What is the InChIKey of 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is MWJILRNJJKNSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H66BN3S2Si3.C90H62BN3S2Si3.C68H49BN2S2Si2.C66H45BN2S2Si2/c1-63-49-55-80-90(57-63)101(72-37-17-7-18-38-72,73-39-19-8-20-40-73)91-58-64(2)50-56-81(91)96(80)67-61-84-92-85(62-67)98-83-60-66(95-78-43-23-27-47-88(78)100(70-33-13-5-14-34-70,71-35-15-6-16-36-71)89-48-28-24-44-79(89)95)52-54-75(83)93(92)74-53-51-65(59-82(74)97-84)94-76-41-21-25-45-86(76)99(68-29-9-3-10-30-68,69-31-11-4-12-32-69)87-46-26-22-42-77(87)94;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)63-55-57-72-80(59-63)95-82-61-65(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)62-83-90(82)91(72)73-58-56-64(60-81(73)96-83)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;1-46-34-40-58-66(42-46)75(52-24-11-5-12-25-52,53-26-13-6-14-27-53)67-43-47(2)35-41-59(67)71(58)49-37-39-55-63(45-49)73-61-31-19-30-60-68(61)69(55)54-38-36-48(44-62(54)72-60)70-56-28-15-17-32-64(56)74(50-20-7-3-8-21-50,51-22-9-4-10-23-51)65-33-18-16-29-57(65)70;1-5-23-48(24-6-1)72(49-25-7-2-8-26-49)62-37-19-14-32-54(62)68(55-33-15-20-38-63(55)72)46-41-42-53-59(43-46)71-61-45-47(44-60-66(61)67(53)52-31-13-18-36-58(52)70-60)69-56-34-16-21-39-64(56)73(50-27-9-3-10-28-50,51-29-11-4-12-30-51)65-40-22-17-35-57(65)69/h3-62H,1-2H3;1-62H;3-45H,1-2H3;1-45H.
What are the key properties of 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 4739.97 g/mol, XLogP of 45.37, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,17-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]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5,17-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-[17-(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-5-yl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[5-(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),15,17,19-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 163790593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).