bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane

C42H48Ge — CID 22994910

IUPACbis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Ge](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C42H48Ge/c1-27-25-37-33(29-17-21-31(22-18-29)41(3,4)5)13-11-15-35(37)39(27)43(9,10)40-28(2)26-38-34(14-12-16-36(38)40)30-19-23-32(24-20-30)42(6,7)8/h11-26,39-40H,1-10H3
InChIKeyAJRQYRVEAHHNLU-UHFFFAOYSA-N
MW625.46 g/mol
LogP12.10
Rot. Bonds4

About bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane

bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane (PubChem CID 22994910) has the molecular formula C42H48Ge and a molecular weight of 625.46 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
PubChem CID22994910
Molecular FormulaC42H48Ge
Molecular Weight625.46 g/mol
Exact Mass626.30
IUPAC Namebis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Ge](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C42H48Ge/c1-27-25-37-33(29-17-21-31(22-18-29)41(3,4)5)13-11-15-35(37)39(27)43(9,10)40-28(2)26-38-34(14-12-16-36(38)40)30-19-23-32(24-20-30)42(6,7)8/h11-26,39-40H,1-10H3
InChIKeyAJRQYRVEAHHNLU-UHFFFAOYSA-N
XLogP12.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.46
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane?
The IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane (CID 22994910) is bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane.
What is the SMILES notation for bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane?
The canonical SMILES for bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Ge](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.
What is the InChIKey of bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane?
The InChIKey is AJRQYRVEAHHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48Ge/c1-27-25-37-33(29-17-21-31(22-18-29)41(3,4)5)13-11-15-35(37)39(27)43(9,10)40-28(2)26-38-34(14-12-16-36(38)40)30-19-23-32(24-20-30)42(6,7)8/h11-26,39-40H,1-10H3.
What are the key properties of bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane?
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane has a molecular weight of 625.46 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane is sourced from PubChem (CID 22994910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).