8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

C40H36Si2 — CID 59182791

IUPAC8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESCc1ccc(-c2ccc3c(c2)[Si](C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(-c3ccc(C)cc3)cc2[Si]4(C)C)cc1
InChIInChI=1S/C40H36Si2/c1-25-7-11-27(12-8-25)29-15-17-31-33-19-20-34-32-18-16-30(28-13-9-26(2)10-14-28)24-38(32)42(5,6)36-22-21-35(39(33)40(34)36)41(3,4)37(31)23-29/h7-24H,1-6H3
InChIKeyKPBKGZFYOXVULX-UHFFFAOYSA-N
MW572.90 g/mol
LogP8.40
Rot. Bonds2

About 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (PubChem CID 59182791) has the molecular formula C40H36Si2 and a molecular weight of 572.90 g/mol. Its IUPAC name is 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.

Molecular Properties

Compound Name8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
PubChem CID59182791
Molecular FormulaC40H36Si2
Molecular Weight572.90 g/mol
Exact Mass572.24
IUPAC Name8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESCc1ccc(-c2ccc3c(c2)[Si](C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(-c3ccc(C)cc3)cc2[Si]4(C)C)cc1
InChIInChI=1S/C40H36Si2/c1-25-7-11-27(12-8-25)29-15-17-31-33-19-20-34-32-18-16-30(28-13-9-26(2)10-14-28)24-38(32)42(5,6)36-22-21-35(39(33)40(34)36)41(3,4)37(31)23-29/h7-24H,1-6H3
InChIKeyKPBKGZFYOXVULX-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.90
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene 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 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The IUPAC name of 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (CID 59182791) is 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.
What is the SMILES notation for 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The canonical SMILES for 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is Cc1ccc(-c2ccc3c(c2)[Si](C)(C)c2ccc4c5c(ccc-3c25)-c2ccc(-c3ccc(C)cc3)cc2[Si]4(C)C)cc1.
What is the InChIKey of 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The InChIKey is KPBKGZFYOXVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36Si2/c1-25-7-11-27(12-8-25)29-15-17-31-33-19-20-34-32-18-16-30(28-13-9-26(2)10-14-28)24-38(32)42(5,6)36-22-21-35(39(33)40(34)36)41(3,4)37(31)23-29/h7-24H,1-6H3.
What are the key properties of 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene has a molecular weight of 572.90 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,13,13-tetramethyl-5,16-bis(4-methylphenyl)-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is sourced from PubChem (CID 59182791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).