1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone

C27H24N2O2 — CID 2948890

IUPAC1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone
SMILESCOc1ccc(C(=O)C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C27H24N2O2/c1-28-16-22(20-8-4-6-10-24(20)28)26(27(30)18-12-14-19(31-3)15-13-18)23-17-29(2)25-11-7-5-9-21(23)25/h4-17,26H,1-3H3
InChIKeyIESWLYCVJXOOHS-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.69
Rot. Bonds5

About 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone

1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone (PubChem CID 2948890) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone
PubChem CID2948890
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone
SMILESCOc1ccc(C(=O)C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C27H24N2O2/c1-28-16-22(20-8-4-6-10-24(20)28)26(27(30)18-12-14-19(31-3)15-13-18)23-17-29(2)25-11-7-5-9-21(23)25/h4-17,26H,1-3H3
InChIKeyIESWLYCVJXOOHS-UHFFFAOYSA-N
XLogP5.69
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone (CID 2948890) is 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone is COc1ccc(C(=O)C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
The InChIKey is IESWLYCVJXOOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-28-16-22(20-8-4-6-10-24(20)28)26(27(30)18-12-14-19(31-3)15-13-18)23-17-29(2)25-11-7-5-9-21(23)25/h4-17,26H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone?
1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone has a molecular weight of 408.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,2-bis(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 2948890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).