(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium

C29H25N3P+ — CID 177284136

IUPAC(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium
SMILESCn1ccc2c([P+](c3ccccc3)(c3ccccc3)c3ccnc4c3ccn4C)cccc21
InChIInChI=1S/C29H25N3P/c1-31-20-17-24-26(31)14-9-15-27(24)33(22-10-5-3-6-11-22,23-12-7-4-8-13-23)28-16-19-30-29-25(28)18-21-32(29)2/h3-21H,1-2H3/q+1
InChIKeyRXPXDGBZKPGKFH-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.68
Rot. Bonds4

About (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium

(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium (PubChem CID 177284136) has the molecular formula C29H25N3P+ and a molecular weight of 446.51 g/mol. Its IUPAC name is (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium.

Molecular Properties

Compound Name(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium
PubChem CID177284136
Molecular FormulaC29H25N3P+
Molecular Weight446.51 g/mol
Exact Mass446.18
IUPAC Name(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium
SMILESCn1ccc2c([P+](c3ccccc3)(c3ccccc3)c3ccnc4c3ccn4C)cccc21
InChIInChI=1S/C29H25N3P/c1-31-20-17-24-26(31)14-9-15-27(24)33(22-10-5-3-6-11-22,23-12-7-4-8-13-23)28-16-19-30-29-25(28)18-21-32(29)2/h3-21H,1-2H3/q+1
InChIKeyRXPXDGBZKPGKFH-UHFFFAOYSA-N
XLogP4.68
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1-methylindol-4-yl)-diphenylphosphanium
CID 177284167
(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium
CID 177284115
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 169206758
1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
CID 56907537
6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
CID 56886529
1-methylpyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 137347030
8-(1-methylpyrrolo[2,3-b]pyridin-4-yl)quinolin-4-amine
CID 70739111
N-cyclohexyl-1-methylindol-4-amine
CID 159436359
4-chloro-1-methylindole;ethane
CID 142062846
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium?
The IUPAC name of (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium (CID 177284136) is (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium.
What is the SMILES notation for (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium?
The canonical SMILES for (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium is Cn1ccc2c([P+](c3ccccc3)(c3ccccc3)c3ccnc4c3ccn4C)cccc21.
What is the InChIKey of (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium?
The InChIKey is RXPXDGBZKPGKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3P/c1-31-20-17-24-26(31)14-9-15-27(24)33(22-10-5-3-6-11-22,23-12-7-4-8-13-23)28-16-19-30-29-25(28)18-21-32(29)2/h3-21H,1-2H3/q+1.
What are the key properties of (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium?
(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium has a molecular weight of 446.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium is sourced from PubChem (CID 177284136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).