3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene

C45H48Si3 — CID 102463590

IUPAC3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
SMILESC[Si]1(c2ccccc2)Cc2cccc(c2)C[Si](C)(c2ccccc2)Cc2cccc(c2)C[Si](C)(c2ccccc2)Cc2cccc(c2)C1
InChIInChI=1S/C45H48Si3/c1-46(43-22-7-4-8-23-43)31-37-16-13-18-39(28-37)33-47(2,44-24-9-5-10-25-44)35-41-20-15-21-42(30-41)36-48(3,45-26-11-6-12-27-45)34-40-19-14-17-38(29-40)32-46/h4-30H,31-36H2,1-3H3
InChIKeyHWCHRUXLPKCHPG-UHFFFAOYSA-N
MW673.14 g/mol
LogP8.55
Rot. Bonds3

About 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene

3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene (PubChem CID 102463590) has the molecular formula C45H48Si3 and a molecular weight of 673.14 g/mol. Its IUPAC name is 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene.

Molecular Properties

Compound Name3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
PubChem CID102463590
Molecular FormulaC45H48Si3
Molecular Weight673.14 g/mol
Exact Mass672.31
IUPAC Name3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
SMILESC[Si]1(c2ccccc2)Cc2cccc(c2)C[Si](C)(c2ccccc2)Cc2cccc(c2)C[Si](C)(c2ccccc2)Cc2cccc(c2)C1
InChIInChI=1S/C45H48Si3/c1-46(43-22-7-4-8-23-43)31-37-16-13-18-39(28-37)33-47(2,44-24-9-5-10-25-44)35-41-20-15-21-42(30-41)36-48(3,45-26-11-6-12-27-45)34-40-19-14-17-38(29-40)32-46/h4-30H,31-36H2,1-3H3
InChIKeyHWCHRUXLPKCHPG-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.14
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
The IUPAC name of 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene (CID 102463590) is 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene.
What is the SMILES notation for 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
The canonical SMILES for 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene is C[Si]1(c2ccccc2)Cc2cccc(c2)C[Si](C)(c2ccccc2)Cc2cccc(c2)C[Si](C)(c2ccccc2)Cc2cccc(c2)C1.
What is the InChIKey of 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
The InChIKey is HWCHRUXLPKCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48Si3/c1-46(43-22-7-4-8-23-43)31-37-16-13-18-39(28-37)33-47(2,44-24-9-5-10-25-44)35-41-20-15-21-42(30-41)36-48(3,45-26-11-6-12-27-45)34-40-19-14-17-38(29-40)32-46/h4-30H,31-36H2,1-3H3.
What are the key properties of 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene has a molecular weight of 673.14 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene is sourced from PubChem (CID 102463590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).