(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium

C29H25N3P+ — CID 177284115

IUPAC(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium
SMILESCn1cc2c([P+](c3ccccc3)(c3ccccc3)c3cccc4c3ccn4C)cccc2n1
InChIInChI=1S/C29H25N3P/c1-31-20-19-24-27(31)16-10-18-28(24)33(22-11-5-3-6-12-22,23-13-7-4-8-14-23)29-17-9-15-26-25(29)21-32(2)30-26/h3-21H,1-2H3/q+1
InChIKeyCSMFDRAONWRAAB-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.68
Rot. Bonds4

About (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium

(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium (PubChem CID 177284115) has the molecular formula C29H25N3P+ and a molecular weight of 446.51 g/mol. Its IUPAC name is (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium.

Molecular Properties

Compound Name(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium
PubChem CID177284115
Molecular FormulaC29H25N3P+
Molecular Weight446.51 g/mol
Exact Mass446.18
IUPAC Name(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium
SMILESCn1cc2c([P+](c3ccccc3)(c3ccccc3)c3cccc4c3ccn4C)cccc2n1
InChIInChI=1S/C29H25N3P/c1-31-20-19-24-27(31)16-10-18-28(24)33(22-11-5-3-6-12-22,23-13-7-4-8-14-23)29-17-9-15-26-25(29)21-32(2)30-26/h3-21H,1-2H3/q+1
InChIKeyCSMFDRAONWRAAB-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
(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium
CID 177284136
2,4-dimethylindazole;ethane
CID 90974355
2-methylindazol-4-amine
CID 15413170
N,N,2-trimethylindazol-4-amine
CID 71426032
(2-methylindazol-4-yl)methanamine;dihydrochloride
CID 155749660
4-chloro-1-methylindole;ethane
CID 142062846
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
ethane;1-methyl-4-nitroindole
CID 143310904
1-methyl-4-propylindole
CID 59939717

Frequently Asked Questions

What is the IUPAC name of (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium?
The IUPAC name of (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium (CID 177284115) is (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium.
What is the SMILES notation for (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium?
The canonical SMILES for (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium is Cn1cc2c([P+](c3ccccc3)(c3ccccc3)c3cccc4c3ccn4C)cccc2n1.
What is the InChIKey of (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium?
The InChIKey is CSMFDRAONWRAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3P/c1-31-20-19-24-27(31)16-10-18-28(24)33(22-11-5-3-6-12-22,23-13-7-4-8-14-23)29-17-9-15-26-25(29)21-32(2)30-26/h3-21H,1-2H3/q+1.
What are the key properties of (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium?
(2-methylindazol-4-yl)-(1-methylindol-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 (2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium is sourced from PubChem (CID 177284115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).