2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene

C25H20Cl2 — CID 102025715

IUPAC2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene
SMILESCC1(C)C(C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)=Cc2ccccc21
InChIInChI=1S/C25H20Cl2/c1-25(2)20(15-19-5-3-4-6-24(19)25)16-23(17-7-11-21(26)12-8-17)18-9-13-22(27)14-10-18/h3-16H,1-2H3
InChIKeyBBAGCAZDIVLLKK-UHFFFAOYSA-N
MW391.34 g/mol
LogP7.80
Rot. Bonds3

About 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene

2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene (PubChem CID 102025715) has the molecular formula C25H20Cl2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene.

Molecular Properties

Compound Name2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene
PubChem CID102025715
Molecular FormulaC25H20Cl2
Molecular Weight391.34 g/mol
Exact Mass390.09
IUPAC Name2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene
SMILESCC1(C)C(C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)=Cc2ccccc21
InChIInChI=1S/C25H20Cl2/c1-25(2)20(15-19-5-3-4-6-24(19)25)16-23(17-7-11-21(26)12-8-17)18-9-13-22(27)14-10-18/h3-16H,1-2H3
InChIKeyBBAGCAZDIVLLKK-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene?
The IUPAC name of 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene (CID 102025715) is 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene.
What is the SMILES notation for 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene?
The canonical SMILES for 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene is CC1(C)C(C=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)=Cc2ccccc21.
What is the InChIKey of 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene?
The InChIKey is BBAGCAZDIVLLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2/c1-25(2)20(15-19-5-3-4-6-24(19)25)16-23(17-7-11-21(26)12-8-17)18-9-13-22(27)14-10-18/h3-16H,1-2H3.
What are the key properties of 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene?
2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene has a molecular weight of 391.34 g/mol, XLogP of 7.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-chlorophenyl)ethenyl]-1,1-dimethylindene is sourced from PubChem (CID 102025715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).