[[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane

C46H86Si8 — CID 177492970

IUPAC[[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(-c2cccc(-c3cc(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c3)c2)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C46H86Si8/c1-47(2,3)43(48(4,5)6)39-29-37(30-40(33-39)44(49(7,8)9)50(10,11)12)35-26-25-27-36(28-35)38-31-41(45(51(13,14)15)52(16,17)18)34-42(32-38)46(53(19,20)21)54(22,23)24/h25-34,43-46H,1-24H3
InChIKeyQUNPOHQYJLQRJM-UHFFFAOYSA-N
MW863.88 g/mol
LogP16.37
Rot. Bonds14

About [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane

[[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 177492970) has the molecular formula C46H86Si8 and a molecular weight of 863.88 g/mol. Its IUPAC name is [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID177492970
Molecular FormulaC46H86Si8
Molecular Weight863.88 g/mol
Exact Mass862.49
IUPAC Name[[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(-c2cccc(-c3cc(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c3)c2)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C46H86Si8/c1-47(2,3)43(48(4,5)6)39-29-37(30-40(33-39)44(49(7,8)9)50(10,11)12)35-26-25-27-36(28-35)38-31-41(45(51(13,14)15)52(16,17)18)34-42(32-38)46(53(19,20)21)54(22,23)24/h25-34,43-46H,1-24H3
InChIKeyQUNPOHQYJLQRJM-UHFFFAOYSA-N
XLogP16.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.88
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane 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 [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 177492970) is [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1cc(-c2cccc(-c3cc(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c3)c2)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is QUNPOHQYJLQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H86Si8/c1-47(2,3)43(48(4,5)6)39-29-37(30-40(33-39)44(49(7,8)9)50(10,11)12)35-26-25-27-36(28-35)38-31-41(45(51(13,14)15)52(16,17)18)34-42(32-38)46(53(19,20)21)54(22,23)24/h25-34,43-46H,1-24H3.
What are the key properties of [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 863.88 g/mol, XLogP of 16.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[3-[3,5-bis[bis(trimethylsilyl)methyl]phenyl]phenyl]-5-[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 177492970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).