2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane

C68H78Si2 — CID 118987380

About 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane

2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 118987380) has the molecular formula C68H78Si2 and a molecular weight of 951.54 g/mol. Its IUPAC name is 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane
• PubChem CID: 118987380
• Molecular Formula: C68H78Si2
• Molecular Weight: 951.54 g/mol
• Exact Mass: 950.56
• IUPAC Name: 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane
• SMILES: Cc1cc(C)c(C2c3ccccc3-c3cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5cc6c(cc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc32)-c2ccccc2C6c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C68H78Si2/c1-39(2)69(40(3)4,41(5)6)29-27-53-57-35-61-51-23-19-21-25-55(51)68(66-49(17)33-46(14)34-50(66)18)64(61)38-60(57)54(28-30-70(42(7)8,43(9)10)44(11)12)58-36-62-52-24-20-22-26-56(52)67(63(62)37-59(53)58)65-47(15)31-45(13)32-48(65)16/h19-26,31-44,67-68H,1-18H3
• InChIKey: WEILAJLPZPONGD-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.54
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane?

The IUPAC name of 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane (CID 118987380) is 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane.

What is the SMILES notation for 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane?

The canonical SMILES for 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane is Cc1cc(C)c(C2c3ccccc3-c3cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5cc6c(cc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc32)-c2ccccc2C6c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane?

The InChIKey is WEILAJLPZPONGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H78Si2/c1-39(2)69(40(3)4,41(5)6)29-27-53-57-35-61-51-23-19-21-25-55(51)68(66-49(17)33-46(14)34-50(66)18)64(61)38-60(57)54(28-30-70(42(7)8,43(9)10)44(11)12)58-36-62-52-24-20-22-26-56(52)67(63(62)37-59(53)58)65-47(15)31-45(13)32-48(65)16/h19-26,31-44,67-68H,1-18H3.

What are the key properties of 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane?

2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 951.54 g/mol, XLogP of 19.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[12,26-bis(2,4,6-trimethylphenyl)-16-[2-tri(propan-2-yl)silylethynyl]-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 118987380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).