9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene

C56H48Si2 — CID 73027717

IUPAC9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene
SMILESC1=Cc2ccc(cc2)C[Si](c2ccccc2)(c2ccccc2)Cc2ccc(cc2)C=Cc2ccc(cc2)C[Si](c2ccccc2)(c2ccccc2)Cc2ccc1cc2
InChIInChI=1S/C56H48Si2/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-49-33-25-45(26-34-49)21-23-47-29-37-51(38-30-47)43-58(55-17-9-3-10-18-55,56-19-11-4-12-20-56)44-52-39-31-48(32-40-52)24-22-46-27-35-50(42-57)36-28-46/h1-40H,41-44H2
InChIKeySNPPGNHQDPDGRU-UHFFFAOYSA-N
MW777.17 g/mol
LogP10.59
Rot. Bonds4

About 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene

9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene (PubChem CID 73027717) has the molecular formula C56H48Si2 and a molecular weight of 777.17 g/mol. Its IUPAC name is 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene.

Molecular Properties

Compound Name9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene
PubChem CID73027717
Molecular FormulaC56H48Si2
Molecular Weight777.17 g/mol
Exact Mass776.33
IUPAC Name9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene
SMILESC1=Cc2ccc(cc2)C[Si](c2ccccc2)(c2ccccc2)Cc2ccc(cc2)C=Cc2ccc(cc2)C[Si](c2ccccc2)(c2ccccc2)Cc2ccc1cc2
InChIInChI=1S/C56H48Si2/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-49-33-25-45(26-34-49)21-23-47-29-37-51(38-30-47)43-58(55-17-9-3-10-18-55,56-19-11-4-12-20-56)44-52-39-31-48(32-40-52)24-22-46-27-35-50(42-57)36-28-46/h1-40H,41-44H2
InChIKeySNPPGNHQDPDGRU-UHFFFAOYSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.17
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene with MolForge

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Related Compounds

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CID 11669086
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1,1-dimethyl-4,4-diphenyl-1,4-azasilinan-1-ium iodide
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1,1,3-Triphenyl-1,3-disiletane
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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
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1,3-diethyl-1,3-diphenyl-1,3-disiletane
CID 139686277
1,1,2,2-tetraphenyldisilinane
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3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
CID 177448314
1-tert-butyl-4,4-diphenyl-1,4-azasilinane
CID 12930317
N,N-dimethyl-4-(1-phenylsiletan-1-yl)aniline
CID 617479
1-(chloromethyl)-1-phenylsilolane
CID 71333765

Frequently Asked Questions

What is the IUPAC name of 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
The IUPAC name of 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene (CID 73027717) is 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene.
What is the SMILES notation for 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
The canonical SMILES for 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene is C1=Cc2ccc(cc2)C[Si](c2ccccc2)(c2ccccc2)Cc2ccc(cc2)C=Cc2ccc(cc2)C[Si](c2ccccc2)(c2ccccc2)Cc2ccc1cc2.
What is the InChIKey of 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
The InChIKey is SNPPGNHQDPDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48Si2/c1-5-13-53(14-6-1)57(54-15-7-2-8-16-54)41-49-33-25-45(26-34-49)21-23-47-29-37-51(38-30-47)43-58(55-17-9-3-10-18-55,56-19-11-4-12-20-56)44-52-39-31-48(32-40-52)24-22-46-27-35-50(42-57)36-28-46/h1-40H,41-44H2.
What are the key properties of 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene?
9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene has a molecular weight of 777.17 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,22,22-tetraphenyl-9,22-disilapentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),2,4,6,11,13,15,17(30),18,20(29),24(28),25,31,33-tetradecaene is sourced from PubChem (CID 73027717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).