[(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane

C50H52Cl2Ge2 — CID 101465905

IUPAC[(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane
SMILESCC[Ge](/C=C(\c1ccc(C#Cc2ccc(C#Cc3ccc(/C(=C\[Ge](CC)(CC)CC)c4cccc(Cl)c4)cc3)cc2)cc1)c1cccc(Cl)c1)(CC)CC
InChIInChI=1S/C50H52Cl2Ge2/c1-7-53(8-2,9-3)37-49(45-15-13-17-47(51)35-45)43-31-27-41(28-32-43)25-23-39-19-21-40(22-20-39)24-26-42-29-33-44(34-30-42)50(38-54(10-4,11-5)12-6)46-16-14-18-48(52)36-46/h13-22,27-38H,7-12H2,1-6H3/b49-37+,50-38+
InChIKeyRAYBPRWUPLBVAB-RLJCTPROSA-N
MW869.09 g/mol
LogP14.75
Rot. Bonds12

About [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane

[(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane (PubChem CID 101465905) has the molecular formula C50H52Cl2Ge2 and a molecular weight of 869.09 g/mol. Its IUPAC name is [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane.

Molecular Properties

Compound Name[(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane
PubChem CID101465905
Molecular FormulaC50H52Cl2Ge2
Molecular Weight869.09 g/mol
Exact Mass870.19
IUPAC Name[(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane
SMILESCC[Ge](/C=C(\c1ccc(C#Cc2ccc(C#Cc3ccc(/C(=C\[Ge](CC)(CC)CC)c4cccc(Cl)c4)cc3)cc2)cc1)c1cccc(Cl)c1)(CC)CC
InChIInChI=1S/C50H52Cl2Ge2/c1-7-53(8-2,9-3)37-49(45-15-13-17-47(51)35-45)43-31-27-41(28-32-43)25-23-39-19-21-40(22-20-39)24-26-42-29-33-44(34-30-42)50(38-54(10-4,11-5)12-6)46-16-14-18-48(52)36-46/h13-22,27-38H,7-12H2,1-6H3/b49-37+,50-38+
InChIKeyRAYBPRWUPLBVAB-RLJCTPROSA-N
XLogP14.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.09
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane?
The IUPAC name of [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane (CID 101465905) is [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane.
What is the SMILES notation for [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane?
The canonical SMILES for [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane is CC[Ge](/C=C(\c1ccc(C#Cc2ccc(C#Cc3ccc(/C(=C\[Ge](CC)(CC)CC)c4cccc(Cl)c4)cc3)cc2)cc1)c1cccc(Cl)c1)(CC)CC.
What is the InChIKey of [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane?
The InChIKey is RAYBPRWUPLBVAB-RLJCTPROSA-N. The full InChI is InChI=1S/C50H52Cl2Ge2/c1-7-53(8-2,9-3)37-49(45-15-13-17-47(51)35-45)43-31-27-41(28-32-43)25-23-39-19-21-40(22-20-39)24-26-42-29-33-44(34-30-42)50(38-54(10-4,11-5)12-6)46-16-14-18-48(52)36-46/h13-22,27-38H,7-12H2,1-6H3/b49-37+,50-38+.
What are the key properties of [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane?
[(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane has a molecular weight of 869.09 g/mol, XLogP of 14.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(3-chlorophenyl)-2-[4-[2-[4-[2-[4-[(E)-1-(3-chlorophenyl)-2-triethylgermylethenyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethenyl]-triethylgermane is sourced from PubChem (CID 101465905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).