[8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane

C78H126Si6 — CID 101023060

IUPAC[8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C1=C([Si](C(C)C)(C(C)C)C(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C21)C([Si](C(C)C)(C(C)C)C(C)C)=C4[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C3[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C78H126Si6/c1-49(2)79(50(3)4,51(5)6)73-67-43-37-38-45-69-71(77(83(61(25)26,62(27)28)63(29)30)75(69)81(55(13)14,56(15)16)57(17)18)47-41-42-48-72-70(46-40-39-44-68(67)74(73)80(52(7)8,53(9)10)54(11)12)76(82(58(19)20,59(21)22)60(23)24)78(72)84(64(31)32,65(33)34)66(35)36/h49-66H,1-36H3
InChIKeyZOWZJHOKRZEHHG-UHFFFAOYSA-N
MW1232.38 g/mol
LogP25.99
Rot. Bonds24

About [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane

[8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane (PubChem CID 101023060) has the molecular formula C78H126Si6 and a molecular weight of 1232.38 g/mol. Its IUPAC name is [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane
PubChem CID101023060
Molecular FormulaC78H126Si6
Molecular Weight1232.38 g/mol
Exact Mass1230.85
IUPAC Name[8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C1=C([Si](C(C)C)(C(C)C)C(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C21)C([Si](C(C)C)(C(C)C)C(C)C)=C4[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C3[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C78H126Si6/c1-49(2)79(50(3)4,51(5)6)73-67-43-37-38-45-69-71(77(83(61(25)26,62(27)28)63(29)30)75(69)81(55(13)14,56(15)16)57(17)18)47-41-42-48-72-70(46-40-39-44-68(67)74(73)80(52(7)8,53(9)10)54(11)12)76(82(58(19)20,59(21)22)60(23)24)78(72)84(64(31)32,65(33)34)66(35)36/h49-66H,1-36H3
InChIKeyZOWZJHOKRZEHHG-UHFFFAOYSA-N
XLogP25.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001232.38
LogP ≤ 525.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane?
The IUPAC name of [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane (CID 101023060) is [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane?
The canonical SMILES for [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane is CC(C)[Si](C1=C([Si](C(C)C)(C(C)C)C(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C21)C([Si](C(C)C)(C(C)C)C(C)C)=C4[Si](C(C)C)(C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=C3[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane?
The InChIKey is ZOWZJHOKRZEHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H126Si6/c1-49(2)79(50(3)4,51(5)6)73-67-43-37-38-45-69-71(77(83(61(25)26,62(27)28)63(29)30)75(69)81(55(13)14,56(15)16)57(17)18)47-41-42-48-72-70(46-40-39-44-68(67)74(73)80(52(7)8,53(9)10)54(11)12)76(82(58(19)20,59(21)22)60(23)24)78(72)84(64(31)32,65(33)34)66(35)36/h49-66H,1-36H3.
What are the key properties of [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane?
[8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane has a molecular weight of 1232.38 g/mol, XLogP of 25.99, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [8,15,16,23,24-pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101023060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).