2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran

C51H52O2Si — CID 140868337

IUPAC2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
SMILESCc1cc(C)cc(-c2c(C)c(C)cc3c2C=C(c2ccc(C)o2)C3[Si]2(C3C(c4ccc(C)o4)=Cc4c3cc(C)c(C)c4-c3cc(C)cc(C)c3)CCC2)c1
InChIInChI=1S/C51H52O2Si/c1-28-18-29(2)21-38(20-28)48-36(9)32(5)24-42-40(48)26-44(46-14-12-34(7)52-46)50(42)54(16-11-17-54)51-43-25-33(6)37(10)49(39-22-30(3)19-31(4)23-39)41(43)27-45(51)47-15-13-35(8)53-47/h12-15,18-27,50-51H,11,16-17H2,1-10H3
InChIKeyKHNZNZDAHBYKQJ-UHFFFAOYSA-N
MW725.06 g/mol
LogP14.20
Rot. Bonds6

About 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran

2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 140868337) has the molecular formula C51H52O2Si and a molecular weight of 725.06 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
PubChem CID140868337
Molecular FormulaC51H52O2Si
Molecular Weight725.06 g/mol
Exact Mass724.37
IUPAC Name2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
SMILESCc1cc(C)cc(-c2c(C)c(C)cc3c2C=C(c2ccc(C)o2)C3[Si]2(C3C(c4ccc(C)o4)=Cc4c3cc(C)c(C)c4-c3cc(C)cc(C)c3)CCC2)c1
InChIInChI=1S/C51H52O2Si/c1-28-18-29(2)21-38(20-28)48-36(9)32(5)24-42-40(48)26-44(46-14-12-34(7)52-46)50(42)54(16-11-17-54)51-43-25-33(6)37(10)49(39-22-30(3)19-31(4)23-39)41(43)27-45(51)47-15-13-35(8)53-47/h12-15,18-27,50-51H,11,16-17H2,1-10H3
InChIKeyKHNZNZDAHBYKQJ-UHFFFAOYSA-N
XLogP14.20
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.06
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran (CID 140868337) is 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran is Cc1cc(C)cc(-c2c(C)c(C)cc3c2C=C(c2ccc(C)o2)C3[Si]2(C3C(c4ccc(C)o4)=Cc4c3cc(C)c(C)c4-c3cc(C)cc(C)c3)CCC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is KHNZNZDAHBYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52O2Si/c1-28-18-29(2)21-38(20-28)48-36(9)32(5)24-42-40(48)26-44(46-14-12-34(7)52-46)50(42)54(16-11-17-54)51-43-25-33(6)37(10)49(39-22-30(3)19-31(4)23-39)41(43)27-45(51)47-15-13-35(8)53-47/h12-15,18-27,50-51H,11,16-17H2,1-10H3.
What are the key properties of 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran?
2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 725.06 g/mol, XLogP of 14.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 140868337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).