(1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate

C27H24N2O2 — CID 118358593

IUPAC(1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate
SMILESCc1c(OC(=O)c2ccccc2-c2c(C)n(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C27H24N2O2/c1-17-25(21-13-7-9-15-23(21)28(17)3)19-11-5-6-12-20(19)27(30)31-26-18(2)29(4)24-16-10-8-14-22(24)26/h5-16H,1-4H3
InChIKeyAROQNDZGOYDENV-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.17
Rot. Bonds3

About (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate

(1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate (PubChem CID 118358593) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate
PubChem CID118358593
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name(1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate
SMILESCc1c(OC(=O)c2ccccc2-c2c(C)n(C)c3ccccc23)c2ccccc2n1C
InChIInChI=1S/C27H24N2O2/c1-17-25(21-13-7-9-15-23(21)28(17)3)19-11-5-6-12-20(19)27(30)31-26-18(2)29(4)24-16-10-8-14-22(24)26/h5-16H,1-4H3
InChIKeyAROQNDZGOYDENV-UHFFFAOYSA-N
XLogP6.17
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate?
The IUPAC name of (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate (CID 118358593) is (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate.
What is the SMILES notation for (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate?
The canonical SMILES for (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate is Cc1c(OC(=O)c2ccccc2-c2c(C)n(C)c3ccccc23)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate?
The InChIKey is AROQNDZGOYDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-17-25(21-13-7-9-15-23(21)28(17)3)19-11-5-6-12-20(19)27(30)31-26-18(2)29(4)24-16-10-8-14-22(24)26/h5-16H,1-4H3.
What are the key properties of (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate?
(1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate has a molecular weight of 408.50 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl) 2-(1,2-dimethylindol-3-yl)benzoate is sourced from PubChem (CID 118358593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).