1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane

C80H104Si8 — CID 15200924

IUPAC1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane
SMILESCCc1cccc(CC)c1[Si]12[Si]3(c4c(CC)cccc4CC)[Si]4(c5c(CC)cccc5CC)[Si]1(c1c(CC)cccc1CC)[Si]1(c5c(CC)cccc5CC)[Si]2(c2c(CC)cccc2CC)[Si]3(c2c(CC)cccc2CC)[Si]41c1c(CC)cccc1CC
InChIInChI=1S/C80H104Si8/c1-17-57-41-33-42-58(18-2)73(57)81-82(74-59(19-3)43-34-44-60(74)20-4)85(77-65(25-9)49-37-50-66(77)26-10)83(81,75-61(21-5)45-35-46-62(75)22-6)87(79-69(29-13)53-39-54-70(79)30-14)84(81,76-63(23-7)47-36-48-64(76)24-8)86(82,78-67(27-11)51-38-52-68(78)28-12)88(85,87)80-71(31-15)55-40-56-72(80)32-16/h33-56H,17-32H2,1-16H3
InChIKeyHHHZHYZKBQUDFU-UHFFFAOYSA-N
MW1290.40 g/mol
LogP12.84
Rot. Bonds24

About 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane

1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane (PubChem CID 15200924) has the molecular formula C80H104Si8 and a molecular weight of 1290.40 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane
PubChem CID15200924
Molecular FormulaC80H104Si8
Molecular Weight1290.40 g/mol
Exact Mass1288.63
IUPAC Name1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane
SMILESCCc1cccc(CC)c1[Si]12[Si]3(c4c(CC)cccc4CC)[Si]4(c5c(CC)cccc5CC)[Si]1(c1c(CC)cccc1CC)[Si]1(c5c(CC)cccc5CC)[Si]2(c2c(CC)cccc2CC)[Si]3(c2c(CC)cccc2CC)[Si]41c1c(CC)cccc1CC
InChIInChI=1S/C80H104Si8/c1-17-57-41-33-42-58(18-2)73(57)81-82(74-59(19-3)43-34-44-60(74)20-4)85(77-65(25-9)49-37-50-66(77)26-10)83(81,75-61(21-5)45-35-46-62(75)22-6)87(79-69(29-13)53-39-54-70(79)30-14)84(81,76-63(23-7)47-36-48-64(76)24-8)86(82,78-67(27-11)51-38-52-68(78)28-12)88(85,87)80-71(31-15)55-40-56-72(80)32-16/h33-56H,17-32H2,1-16H3
InChIKeyHHHZHYZKBQUDFU-UHFFFAOYSA-N
XLogP12.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001290.40
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane 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 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane?
The IUPAC name of 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane (CID 15200924) is 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane?
The canonical SMILES for 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane is CCc1cccc(CC)c1[Si]12[Si]3(c4c(CC)cccc4CC)[Si]4(c5c(CC)cccc5CC)[Si]1(c1c(CC)cccc1CC)[Si]1(c5c(CC)cccc5CC)[Si]2(c2c(CC)cccc2CC)[Si]3(c2c(CC)cccc2CC)[Si]41c1c(CC)cccc1CC.
What is the InChIKey of 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane?
The InChIKey is HHHZHYZKBQUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H104Si8/c1-17-57-41-33-42-58(18-2)73(57)81-82(74-59(19-3)43-34-44-60(74)20-4)85(77-65(25-9)49-37-50-66(77)26-10)83(81,75-61(21-5)45-35-46-62(75)22-6)87(79-69(29-13)53-39-54-70(79)30-14)84(81,76-63(23-7)47-36-48-64(76)24-8)86(82,78-67(27-11)51-38-52-68(78)28-12)88(85,87)80-71(31-15)55-40-56-72(80)32-16/h33-56H,17-32H2,1-16H3.
What are the key properties of 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane?
1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane has a molecular weight of 1290.40 g/mol, XLogP of 12.84, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octakis(2,6-diethylphenyl)-1,2,3,4,5,6,7,8-octasilapentacyclo[4.2.0.02,5.03,8.04,7]octane is sourced from PubChem (CID 15200924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).