tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane

C76H74O2Si2 — CID 134887632

About tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane

tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane (PubChem CID 134887632) has the molecular formula C76H74O2Si2 and a molecular weight of 1075.60 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane
• PubChem CID: 134887632
• Molecular Formula: C76H74O2Si2
• Molecular Weight: 1075.60 g/mol
• Exact Mass: 1074.52
• IUPAC Name: tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane
• SMILES: CC(C)[Si](C#Cc1c2cc3c(cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc4c(cc12)C1(c2ccccc2)OC4(c2ccccc2)c2ccccc21)C1(c2ccccc2)OC3(c2ccccc2)c2ccccc21)(C(C)C)C(C)C
• InChI: InChI=1S/C76H74O2Si2/c1-49(2)79(50(3)4,51(5)6)43-41-59-61-45-69-71(75(57-33-21-15-22-34-57)67-39-27-25-37-65(67)73(69,77-75)55-29-17-13-18-30-55)47-63(61)60(42-44-80(52(7)8,53(9)10)54(11)12)64-48-72-70(46-62(59)64)74(56-31-19-14-20-32-56)66-38-26-28-40-68(66)76(72,78-74)58-35-23-16-24-36-58/h13-40,45-54H,1-12H3
• InChIKey: SKHAEOCTBMIQTI-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.60
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane?

The IUPAC name of tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane (CID 134887632) is tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane.

What is the SMILES notation for tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane?

The canonical SMILES for tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2cc3c(cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc4c(cc12)C1(c2ccccc2)OC4(c2ccccc2)c2ccccc21)C1(c2ccccc2)OC3(c2ccccc2)c2ccccc21)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane?

The InChIKey is SKHAEOCTBMIQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H74O2Si2/c1-49(2)79(50(3)4,51(5)6)43-41-59-61-45-69-71(75(57-33-21-15-22-34-57)67-39-27-25-37-65(67)73(69,77-75)55-29-17-13-18-30-55)47-63(61)60(42-44-80(52(7)8,53(9)10)54(11)12)64-48-72-70(46-62(59)64)74(56-31-19-14-20-32-56)66-38-26-28-40-68(66)76(72,78-74)58-35-23-16-24-36-58/h13-40,45-54H,1-12H3.

What are the key properties of tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane?

tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane has a molecular weight of 1075.60 g/mol, XLogP of 18.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane is sourced from PubChem (CID 134887632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).