bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane

C38H38Cl2Ge — CID 139941529

IUPACbis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane
SMILESCC1=CC2=C(C=CC=CC2c2ccc(Cl)cc2C)C1[Ge](C)(C)C1C(C)=CC2=C1C=CC=CC2c1ccc(Cl)cc1C
InChIInChI=1S/C38H38Cl2Ge/c1-23-19-27(39)15-17-29(23)31-11-7-9-13-33-35(31)21-25(3)37(33)41(5,6)38-26(4)22-36-32(12-8-10-14-34(36)38)30-18-16-28(40)20-24(30)2/h7-22,31-32,37-38H,1-6H3
InChIKeyHCUWYOBESVWMPW-UHFFFAOYSA-N
MW638.24 g/mol
LogP11.69
Rot. Bonds4

About bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane

bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane (PubChem CID 139941529) has the molecular formula C38H38Cl2Ge and a molecular weight of 638.24 g/mol. Its IUPAC name is bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane.

Molecular Properties

Compound Namebis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane
PubChem CID139941529
Molecular FormulaC38H38Cl2Ge
Molecular Weight638.24 g/mol
Exact Mass638.16
IUPAC Namebis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane
SMILESCC1=CC2=C(C=CC=CC2c2ccc(Cl)cc2C)C1[Ge](C)(C)C1C(C)=CC2=C1C=CC=CC2c1ccc(Cl)cc1C
InChIInChI=1S/C38H38Cl2Ge/c1-23-19-27(39)15-17-29(23)31-11-7-9-13-33-35(31)21-25(3)37(33)41(5,6)38-26(4)22-36-32(12-8-10-14-34(36)38)30-18-16-28(40)20-24(30)2/h7-22,31-32,37-38H,1-6H3
InChIKeyHCUWYOBESVWMPW-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.24
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane?
The IUPAC name of bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane (CID 139941529) is bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane.
What is the SMILES notation for bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane?
The canonical SMILES for bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane is CC1=CC2=C(C=CC=CC2c2ccc(Cl)cc2C)C1[Ge](C)(C)C1C(C)=CC2=C1C=CC=CC2c1ccc(Cl)cc1C.
What is the InChIKey of bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane?
The InChIKey is HCUWYOBESVWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Cl2Ge/c1-23-19-27(39)15-17-29(23)31-11-7-9-13-33-35(31)21-25(3)37(33)41(5,6)38-26(4)22-36-32(12-8-10-14-34(36)38)30-18-16-28(40)20-24(30)2/h7-22,31-32,37-38H,1-6H3.
What are the key properties of bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane?
bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane has a molecular weight of 638.24 g/mol, XLogP of 11.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-chloro-2-methylphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-dimethylgermane is sourced from PubChem (CID 139941529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).