1H-indol-3-ylmethyl(triphenyl)phosphanium

C27H23NP+ — CID 140905729

IUPAC1H-indol-3-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](Cc2c[nH]c3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23NP/c1-4-12-23(13-5-1)29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)21-22-20-28-27-19-11-10-18-26(22)27/h1-20,28H,21H2/q+1
InChIKeyUDLCZCMCWVURDV-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.66
Rot. Bonds5

About 1H-indol-3-ylmethyl(triphenyl)phosphanium

1H-indol-3-ylmethyl(triphenyl)phosphanium (PubChem CID 140905729) has the molecular formula C27H23NP+ and a molecular weight of 392.46 g/mol. Its IUPAC name is 1H-indol-3-ylmethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1H-indol-3-ylmethyl(triphenyl)phosphanium
PubChem CID140905729
Molecular FormulaC27H23NP+
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name1H-indol-3-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](Cc2c[nH]c3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23NP/c1-4-12-23(13-5-1)29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)21-22-20-28-27-19-11-10-18-26(22)27/h1-20,28H,21H2/q+1
InChIKeyUDLCZCMCWVURDV-UHFFFAOYSA-N
XLogP5.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(2-fluoropropyl)-1H-indole
CID 142409179
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
CID 70188356
CID 70188356

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethyl(triphenyl)phosphanium?
The IUPAC name of 1H-indol-3-ylmethyl(triphenyl)phosphanium (CID 140905729) is 1H-indol-3-ylmethyl(triphenyl)phosphanium.
What is the SMILES notation for 1H-indol-3-ylmethyl(triphenyl)phosphanium?
The canonical SMILES for 1H-indol-3-ylmethyl(triphenyl)phosphanium is c1ccc([P+](Cc2c[nH]c3ccccc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1H-indol-3-ylmethyl(triphenyl)phosphanium?
The InChIKey is UDLCZCMCWVURDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NP/c1-4-12-23(13-5-1)29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)21-22-20-28-27-19-11-10-18-26(22)27/h1-20,28H,21H2/q+1.
What are the key properties of 1H-indol-3-ylmethyl(triphenyl)phosphanium?
1H-indol-3-ylmethyl(triphenyl)phosphanium has a molecular weight of 392.46 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethyl(triphenyl)phosphanium is sourced from PubChem (CID 140905729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).