10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

C250H250B4N6O2S2Si6 — CID 159907211

About 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (PubChem CID 159907211) has the molecular formula C250H250B4N6O2S2Si6 and a molecular weight of 3646.69 g/mol. Its IUPAC name is 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

Molecular Properties

• Compound Name: 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
• PubChem CID: 159907211
• Molecular Formula: C250H250B4N6O2S2Si6
• Molecular Weight: 3646.69 g/mol
• Exact Mass: 3643.81
• IUPAC Name: 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
• SMILES: C.C.C.C.C.C.C.C.CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc3Oc3c2cccc3N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si]5(c6ccccc6-c6ccccc65)c5ccccc54)ccc3Oc3c2cccc3N2c3ccccc3[Si]3(c4ccccc4-c4ccccc43)c3ccccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Sc3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Sc3cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1
• InChI: InChI=1S/C75H61BN2OSi2.C75H65BN2OSi2.C51H48BNSSi.C41H44BNSSi.8CH4/c1-47(2)50-44-56(48(3)4)74(57(45-50)49(5)6)76-58-28-23-33-64(78-62-31-13-21-40-72(62)81(73-41-22-14-32-63(73)78)68-36-17-9-26-54(68)55-27-10-18-37-69(55)81)75(58)79-65-43-42-51(46-59(65)76)77-60-29-11-19-38-70(60)80(71-39-20-12-30-61(71)77)66-34-15-7-24-52(66)53-25-8-16-35-67(53)80;1-51(2)54-48-60(52(3)4)74(61(49-54)53(5)6)76-62-36-27-41-68(78-66-39-21-25-44-72(66)81(58-32-15-9-16-33-58,59-34-17-10-18-35-59)73-45-26-22-40-67(73)78)75(62)79-69-47-46-55(50-63(69)76)77-64-37-19-23-42-70(64)80(56-28-11-7-12-29-56,57-30-13-8-14-31-57)71-43-24-20-38-65(71)77;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)52-43-23-13-16-26-47(43)54-48-33-38(29-30-44(48)52)53-45-24-14-17-27-49(45)55(39-19-9-7-10-20-39,40-21-11-8-12-22-40)50-28-18-15-25-46(50)53;1-26(2)29-23-31(27(3)4)41(32(24-29)28(5)6)42-33-15-9-12-18-37(33)44-38-25-30(21-22-34(38)42)43-35-16-10-13-19-39(35)45(7,8)40-20-14-11-17-36(40)43;;;;;;;;/h7-49H,1-6H3;7-53H,1-6H3;7-36H,1-6H3;9-28H,1-8H3;8*1H4
• InChIKey: NWSORUIDDORLCS-UHFFFAOYSA-N
• XLogP: 46.89
• TPSA: 37.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3646.69
LogP ≤ 5	46.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The IUPAC name of 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (CID 159907211) is 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

What is the SMILES notation for 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The canonical SMILES for 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is C.C.C.C.C.C.C.C.CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc3Oc3c2cccc3N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si]5(c6ccccc6-c6ccccc65)c5ccccc54)ccc3Oc3c2cccc3N2c3ccccc3[Si]3(c4ccccc4-c4ccccc43)c3ccccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Sc3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Sc3cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc32)c(C(C)C)c1.

What is the InChIKey of 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The InChIKey is NWSORUIDDORLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H61BN2OSi2.C75H65BN2OSi2.C51H48BNSSi.C41H44BNSSi.8CH4/c1-47(2)50-44-56(48(3)4)74(57(45-50)49(5)6)76-58-28-23-33-64(78-62-31-13-21-40-72(62)81(73-41-22-14-32-63(73)78)68-36-17-9-26-54(68)55-27-10-18-37-69(55)81)75(58)79-65-43-42-51(46-59(65)76)77-60-29-11-19-38-70(60)80(71-39-20-12-30-61(71)77)66-34-15-7-24-52(66)53-25-8-16-35-67(53)80;1-51(2)54-48-60(52(3)4)74(61(49-54)53(5)6)76-62-36-27-41-68(78-66-39-21-25-44-72(66)81(58-32-15-9-16-33-58,59-34-17-10-18-35-59)73-45-26-22-40-67(73)78)75(62)79-69-47-46-55(50-63(69)76)77-64-37-19-23-42-70(64)80(56-28-11-7-12-29-56,57-30-13-8-14-31-57)71-43-24-20-38-65(71)77;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)52-43-23-13-16-26-47(43)54-48-33-38(29-30-44(48)52)53-45-24-14-17-27-49(45)55(39-19-9-7-10-20-39,40-21-11-8-12-22-40)50-28-18-15-25-46(50)53;1-26(2)29-23-31(27(3)4)41(32(24-29)28(5)6)42-33-15-9-12-18-37(33)44-38-25-30(21-22-34(38)42)43-35-16-10-13-19-39(35)45(7,8)40-20-14-11-17-36(40)43;;;;;;;;/h7-49H,1-6H3;7-53H,1-6H3;7-36H,1-6H3;9-28H,1-8H3;8*1H4.

What are the key properties of 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] has a molecular weight of 3646.69 g/mol, XLogP of 46.89, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-6-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;10,10-diphenyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzothiaborinin-3-yl]benzo[b][1,4]benzazasiline;methane;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]benzoxaborinin-6-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 159907211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).