2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole

C23H24N2 — CID 118988971

IUPAC2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole
SMILESCC1(C)C(/C=C/C=C2/Nc3ccccc3C2(C)C)=Nc2ccccc21
InChIInChI=1S/C23H24N2/c1-22(2)16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(3,4)17-11-6-8-13-19(17)25-21/h5-15,24H,1-4H3/b15-9+,20-14+
InChIKeyLEFRSQCRYRHCQL-UVLVGVAHSA-N
MW328.46 g/mol
LogP5.89
Rot. Bonds2

About 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole

2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole (PubChem CID 118988971) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole.

Molecular Properties

Compound Name2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole
PubChem CID118988971
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole
SMILESCC1(C)C(/C=C/C=C2/Nc3ccccc3C2(C)C)=Nc2ccccc21
InChIInChI=1S/C23H24N2/c1-22(2)16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(3,4)17-11-6-8-13-19(17)25-21/h5-15,24H,1-4H3/b15-9+,20-14+
InChIKeyLEFRSQCRYRHCQL-UVLVGVAHSA-N
XLogP5.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole?
The IUPAC name of 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole (CID 118988971) is 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole.
What is the SMILES notation for 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole?
The canonical SMILES for 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole is CC1(C)C(/C=C/C=C2/Nc3ccccc3C2(C)C)=Nc2ccccc21.
What is the InChIKey of 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole?
The InChIKey is LEFRSQCRYRHCQL-UVLVGVAHSA-N. The full InChI is InChI=1S/C23H24N2/c1-22(2)16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(3,4)17-11-6-8-13-19(17)25-21/h5-15,24H,1-4H3/b15-9+,20-14+.
What are the key properties of 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole?
2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole has a molecular weight of 328.46 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole is sourced from PubChem (CID 118988971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).