1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole

C64H46F12Si2 — CID 87964675

IUPAC1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole
SMILESC[Si]1(CC[Si]2(C)C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc(C(F)(F)F)cc2)C(c2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C64H46F12Si2/c1-77(57(45-23-31-49(32-24-45)61(65,66)67)53(41-15-7-3-8-16-41)54(42-17-9-4-10-18-42)58(77)46-25-33-50(34-26-46)62(68,69)70)39-40-78(2)59(47-27-35-51(36-28-47)63(71,72)73)55(43-19-11-5-12-20-43)56(44-21-13-6-14-22-44)60(78)48-29-37-52(38-30-48)64(74,75)76/h3-38H,39-40H2,1-2H3
InChIKeyRDLHVJSBLZYUKK-UHFFFAOYSA-N
MW1099.22 g/mol
LogP19.85
Rot. Bonds11

About 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole

1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole (PubChem CID 87964675) has the molecular formula C64H46F12Si2 and a molecular weight of 1099.22 g/mol. Its IUPAC name is 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole.

Molecular Properties

Compound Name1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole
PubChem CID87964675
Molecular FormulaC64H46F12Si2
Molecular Weight1099.22 g/mol
Exact Mass1098.29
IUPAC Name1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole
SMILESC[Si]1(CC[Si]2(C)C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc(C(F)(F)F)cc2)C(c2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C64H46F12Si2/c1-77(57(45-23-31-49(32-24-45)61(65,66)67)53(41-15-7-3-8-16-41)54(42-17-9-4-10-18-42)58(77)46-25-33-50(34-26-46)62(68,69)70)39-40-78(2)59(47-27-35-51(36-28-47)63(71,72)73)55(43-19-11-5-12-20-43)56(44-21-13-6-14-22-44)60(78)48-29-37-52(38-30-48)64(74,75)76/h3-38H,39-40H2,1-2H3
InChIKeyRDLHVJSBLZYUKK-UHFFFAOYSA-N
XLogP19.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.22
LogP ≤ 519.85
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole?
The IUPAC name of 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole (CID 87964675) is 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole.
What is the SMILES notation for 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole?
The canonical SMILES for 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole is C[Si]1(CC[Si]2(C)C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccc(C(F)(F)F)cc2)C(c2ccc(C(F)(F)F)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole?
The InChIKey is RDLHVJSBLZYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46F12Si2/c1-77(57(45-23-31-49(32-24-45)61(65,66)67)53(41-15-7-3-8-16-41)54(42-17-9-4-10-18-42)58(77)46-25-33-50(34-26-46)62(68,69)70)39-40-78(2)59(47-27-35-51(36-28-47)63(71,72)73)55(43-19-11-5-12-20-43)56(44-21-13-6-14-22-44)60(78)48-29-37-52(38-30-48)64(74,75)76/h3-38H,39-40H2,1-2H3.
What are the key properties of 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole?
1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole has a molecular weight of 1099.22 g/mol, XLogP of 19.85, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole is sourced from PubChem (CID 87964675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).