trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane

C137H148B2N4O2Si — CID 174044843

About trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane

trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane (PubChem CID 174044843) has the molecular formula C137H148B2N4O2Si and a molecular weight of 1932.43 g/mol. Its IUPAC name is trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane
• PubChem CID: 174044843
• Molecular Formula: C137H148B2N4O2Si
• Molecular Weight: 1932.43 g/mol
• Exact Mass: 1931.16
• IUPAC Name: trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane
• SMILES: Cc1cc2c3c(c1)N(c1ccc4ccc5cc(CC6(C)CCC(C)(C)c7cc8c9c(oc8cc76)B6c7cc8c(cc7N(c7cc%10c(cc7-c7ccccc7)C(C)(C)CCC%10(C)C)c7cc(C)cc(c76)N9c6ccc([Si](C)(C)C)cc6)C(C)(C)CCC8(C)C)ccc5c4c1)c1c(oc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1cc2c(cc1-c1ccccc1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C
• InChI: InChI=1S/C137H148B2N4O2Si/c1-80-61-114-120-116(63-80)142(110-73-102-96(126(3,4)49-54-131(102,13)14)67-92(110)83-35-31-29-32-36-83)112-75-104-100(129(9,10)52-56-133(104,17)18)71-108(112)138(120)124-122(140(114)87-44-46-89(47-45-87)146(26,27)28)95-70-99-107(78-119(95)145-124)137(25,60-59-136(99,23)24)79-82-39-48-90-86(65-82)41-40-85-42-43-88(66-91(85)90)141-115-62-81(2)64-117-121(115)139(125-123(141)94-69-98-106(77-118(94)144-125)135(21,22)58-51-128(98,7)8)109-72-101-105(134(19,20)57-53-130(101,11)12)76-113(109)143(117)111-74-103-97(127(5,6)50-55-132(103,15)16)68-93(111)84-37-33-30-34-38-84/h29-48,61-78H,49-60,79H2,1-28H3
• InChIKey: VWPFUXWDFPCLIS-UHFFFAOYSA-N
• XLogP: 33.46
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1932.43
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane (CID 174044843) is trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane is Cc1cc2c3c(c1)N(c1ccc4ccc5cc(CC6(C)CCC(C)(C)c7cc8c9c(oc8cc76)B6c7cc8c(cc7N(c7cc%10c(cc7-c7ccccc7)C(C)(C)CCC%10(C)C)c7cc(C)cc(c76)N9c6ccc([Si](C)(C)C)cc6)C(C)(C)CCC8(C)C)ccc5c4c1)c1c(oc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1cc2c(cc1-c1ccccc1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C.

What is the InChIKey of trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane?

The InChIKey is VWPFUXWDFPCLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H148B2N4O2Si/c1-80-61-114-120-116(63-80)142(110-73-102-96(126(3,4)49-54-131(102,13)14)67-92(110)83-35-31-29-32-36-83)112-75-104-100(129(9,10)52-56-133(104,17)18)71-108(112)138(120)124-122(140(114)87-44-46-89(47-45-87)146(26,27)28)95-70-99-107(78-119(95)145-124)137(25,60-59-136(99,23)24)79-82-39-48-90-86(65-82)41-40-85-42-43-88(66-91(85)90)141-115-62-81(2)64-117-121(115)139(125-123(141)94-69-98-106(77-118(94)144-125)135(21,22)58-51-128(98,7)8)109-72-101-105(134(19,20)57-53-130(101,11)12)76-113(109)143(117)111-74-103-97(127(5,6)50-55-132(103,15)16)68-93(111)84-37-33-30-34-38-84/h29-48,61-78H,49-60,79H2,1-28H3.

What are the key properties of trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane?

trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane has a molecular weight of 1932.43 g/mol, XLogP of 33.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[5,5,8,8,15,23,23,26-octamethyl-26-[[6-[5,5,8,8,15,23,23,26,26-nonamethyl-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenanthren-2-yl]methyl]-12-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-30-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.020,29.022,27]dotriaconta-2,4(9),10,13,15,17(32),19(31),20,22(27),28-decaen-18-yl]phenyl]silane is sourced from PubChem (CID 174044843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).