bis(1-methylindol-4-yl)-diphenylphosphanium

C30H26N2P+ — CID 177284167

IUPACbis(1-methylindol-4-yl)-diphenylphosphanium
SMILESCn1ccc2c([P+](c3ccccc3)(c3ccccc3)c3cccc4c3ccn4C)cccc21
InChIInChI=1S/C30H26N2P/c1-31-21-19-25-27(31)15-9-17-29(25)33(23-11-5-3-6-12-23,24-13-7-4-8-14-24)30-18-10-16-28-26(30)20-22-32(28)2/h3-22H,1-2H3/q+1
InChIKeyAUEYXDGHNCPABP-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.29
Rot. Bonds4

About bis(1-methylindol-4-yl)-diphenylphosphanium

bis(1-methylindol-4-yl)-diphenylphosphanium (PubChem CID 177284167) has the molecular formula C30H26N2P+ and a molecular weight of 445.53 g/mol. Its IUPAC name is bis(1-methylindol-4-yl)-diphenylphosphanium.

Molecular Properties

Compound Namebis(1-methylindol-4-yl)-diphenylphosphanium
PubChem CID177284167
Molecular FormulaC30H26N2P+
Molecular Weight445.53 g/mol
Exact Mass445.18
IUPAC Namebis(1-methylindol-4-yl)-diphenylphosphanium
SMILESCn1ccc2c([P+](c3ccccc3)(c3ccccc3)c3cccc4c3ccn4C)cccc21
InChIInChI=1S/C30H26N2P/c1-31-21-19-25-27(31)15-9-17-29(25)33(23-11-5-3-6-12-23,24-13-7-4-8-14-24)30-18-10-16-28-26(30)20-22-32(28)2/h3-22H,1-2H3/q+1
InChIKeyAUEYXDGHNCPABP-UHFFFAOYSA-N
XLogP5.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium
CID 177284136
(2-methylindazol-4-yl)-(1-methylindol-4-yl)-diphenylphosphanium
CID 177284115
4-chloro-1-methylindole;ethane
CID 142062846
trinaphthalen-1-yl(phenyl)phosphanium
CID 150544411
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916
1-methyl-4-propylindole
CID 59939717
dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide
CID 139757718
4-(2,2-dimethylpropyl)-1-methylindole
CID 69029951
ethane;1-methyl-4-nitroindole
CID 143310904
24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
CID 168810962
naphthalen-1-yl(triphenyl)phosphanium perchlorate
CID 71356057
4-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-1-methylindole
CID 155614705

Frequently Asked Questions

What is the IUPAC name of bis(1-methylindol-4-yl)-diphenylphosphanium?
The IUPAC name of bis(1-methylindol-4-yl)-diphenylphosphanium (CID 177284167) is bis(1-methylindol-4-yl)-diphenylphosphanium.
What is the SMILES notation for bis(1-methylindol-4-yl)-diphenylphosphanium?
The canonical SMILES for bis(1-methylindol-4-yl)-diphenylphosphanium is Cn1ccc2c([P+](c3ccccc3)(c3ccccc3)c3cccc4c3ccn4C)cccc21.
What is the InChIKey of bis(1-methylindol-4-yl)-diphenylphosphanium?
The InChIKey is AUEYXDGHNCPABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2P/c1-31-21-19-25-27(31)15-9-17-29(25)33(23-11-5-3-6-12-23,24-13-7-4-8-14-24)30-18-10-16-28-26(30)20-22-32(28)2/h3-22H,1-2H3/q+1.
What are the key properties of bis(1-methylindol-4-yl)-diphenylphosphanium?
bis(1-methylindol-4-yl)-diphenylphosphanium has a molecular weight of 445.53 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylindol-4-yl)-diphenylphosphanium is sourced from PubChem (CID 177284167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).