5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene

C152H156B2N4S2Si2 — CID 174044759

About 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene

5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene (PubChem CID 174044759) has the molecular formula C152H156B2N4S2Si2 and a molecular weight of 2180.88 g/mol. Its IUPAC name is 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene.

Molecular Properties

• Compound Name: 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene
• PubChem CID: 174044759
• Molecular Formula: C152H156B2N4S2Si2
• Molecular Weight: 2180.88 g/mol
• Exact Mass: 2179.15
• IUPAC Name: 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene
• SMILES: Cc1cc2c3c(c1)N(c1ccc4c(c1)C(C)(C)CCC4(C)C)c1c(sc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1cc2c(cc1-c1ccccc1)C(C)(C)CCC2(C)C)-c1ccccc1[Si]3(c1ccccc1)c1ccc(CC2(C)CCC(C)(C)c3cc(-c4ccccc4)c(N4c5cc6c(cc5B5c7sc8cc9c(cc8c7N(c7ccc8c(c7)C(C)(C)CCC8(C)C)c7cc(C)cc4c75)C(C)(C)CCC9(C)C)[Si](C)(C)c4ccccc4-6)cc32)cc1
• InChI: InChI=1S/C152H156B2N4S2Si2/c1-90-72-126-136-127(73-90)157(121-83-115-111(145(11,12)63-66-148(115,17)18)77-101(121)93-41-31-28-32-42-93)124-82-104-100-48-38-40-50-132(100)162(97-45-35-30-36-46-97,134(104)88-120(124)154(136)140-138(106-80-113-117(86-130(106)160-140)150(21,22)68-65-147(113,15)16)156(126)96-54-58-108-110(76-96)144(9,10)62-60-142(108,5)6)98-55-51-92(52-56-98)89-152(25)70-69-151(23,24)114-78-102(94-43-33-29-34-44-94)122(84-118(114)152)158-123-81-103-99-47-37-39-49-131(99)161(26,27)133(103)87-119(123)153-135-125(71-91(2)74-128(135)158)155(95-53-57-107-109(75-95)143(7,8)61-59-141(107,3)4)137-105-79-112-116(85-129(105)159-139(137)153)149(19,20)67-64-146(112,13)14/h28-58,71-88H,59-70,89H2,1-27H3
• InChIKey: FSJBIIAYIKMVJF-UHFFFAOYSA-N
• XLogP: 33.71
• TPSA: 12.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2180.88
LogP ≤ 5	33.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene?

The IUPAC name of 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene (CID 174044759) is 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene.

What is the SMILES notation for 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene?

The canonical SMILES for 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene is Cc1cc2c3c(c1)N(c1ccc4c(c1)C(C)(C)CCC4(C)C)c1c(sc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1cc2c(cc1-c1ccccc1)C(C)(C)CCC2(C)C)-c1ccccc1[Si]3(c1ccccc1)c1ccc(CC2(C)CCC(C)(C)c3cc(-c4ccccc4)c(N4c5cc6c(cc5B5c7sc8cc9c(cc8c7N(c7ccc8c(c7)C(C)(C)CCC8(C)C)c7cc(C)cc4c75)C(C)(C)CCC9(C)C)[Si](C)(C)c4ccccc4-6)cc32)cc1.

What is the InChIKey of 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene?

The InChIKey is FSJBIIAYIKMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H156B2N4S2Si2/c1-90-72-126-136-127(73-90)157(121-83-115-111(145(11,12)63-66-148(115,17)18)77-101(121)93-41-31-28-32-42-93)124-82-104-100-48-38-40-50-132(100)162(97-45-35-30-36-46-97,134(104)88-120(124)154(136)140-138(106-80-113-117(86-130(106)160-140)150(21,22)68-65-147(113,15)16)156(126)96-54-58-108-110(76-96)144(9,10)62-60-142(108,5)6)98-55-51-92(52-56-98)89-152(25)70-69-151(23,24)114-78-102(94-43-33-29-34-44-94)122(84-118(114)152)158-123-81-103-99-47-37-39-49-131(99)161(26,27)133(103)87-119(123)153-135-125(71-91(2)74-128(135)158)155(95-53-57-107-109(75-95)143(7,8)61-59-141(107,3)4)137-105-79-112-116(85-129(105)159-139(137)153)149(19,20)67-64-146(112,13)14/h28-58,71-88H,59-70,89H2,1-27H3.

What are the key properties of 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene?

5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene has a molecular weight of 2180.88 g/mol, XLogP of 33.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,18,26,26,29,29-heptamethyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-[5,5,8-trimethyl-8-[[4-[18,26,26,29,29-pentamethyl-5-phenyl-21-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaen-5-yl]phenyl]methyl]-3-phenyl-6,7-dihydronaphthalen-2-yl]-33-thia-15,21-diaza-5-sila-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.023,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22(34),23,25(30),31-tridecaene is sourced from PubChem (CID 174044759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).