1H-indol-4-yl(triphenyl)phosphanium

C26H21NP+ — CID 177284142

IUPAC1H-indol-4-yl(triphenyl)phosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C26H21NP/c1-4-11-21(12-5-1)28(22-13-6-2-7-14-22,23-15-8-3-9-16-23)26-18-10-17-25-24(26)19-20-27-25/h1-20,27H/q+1
InChIKeyLGCWWXAZXKIKAV-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.79
Rot. Bonds4

About 1H-indol-4-yl(triphenyl)phosphanium

1H-indol-4-yl(triphenyl)phosphanium (PubChem CID 177284142) has the molecular formula C26H21NP+ and a molecular weight of 378.44 g/mol. Its IUPAC name is 1H-indol-4-yl(triphenyl)phosphanium.

Molecular Properties

Compound Name1H-indol-4-yl(triphenyl)phosphanium
PubChem CID177284142
Molecular FormulaC26H21NP+
Molecular Weight378.44 g/mol
Exact Mass378.14
IUPAC Name1H-indol-4-yl(triphenyl)phosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C26H21NP/c1-4-11-21(12-5-1)28(22-13-6-2-7-14-22,23-15-8-3-9-16-23)26-18-10-17-25-24(26)19-20-27-25/h1-20,27H/q+1
InChIKeyLGCWWXAZXKIKAV-UHFFFAOYSA-N
XLogP4.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-indol-4-yl(triphenyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-4-yl-diphenyl-(1H-pyrrolo[3,4-c]pyridin-4-yl)phosphanium
CID 177284190
1H-indol-4-ol
CID 102220556
1H-indol-4-amine;hydrochloride
CID 22461572
4-(2-phenylethynyl)-1H-indole
CID 138972827
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
CID 18356036
benzene;1H-quinolin-4-one
CID 175272043
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile
CID 124636739
(2,3-difluorophenyl)-triphenylphosphanium
CID 174830527
1H-indol-4-yl(dimethyl)borane
CID 58436931
4-(iodomethyl)-1H-indole
CID 143791617
Sodium 4-quinolyl thiol
CID 131747354

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl(triphenyl)phosphanium?
The IUPAC name of 1H-indol-4-yl(triphenyl)phosphanium (CID 177284142) is 1H-indol-4-yl(triphenyl)phosphanium.
What is the SMILES notation for 1H-indol-4-yl(triphenyl)phosphanium?
The canonical SMILES for 1H-indol-4-yl(triphenyl)phosphanium is c1ccc([P+](c2ccccc2)(c2ccccc2)c2cccc3[nH]ccc23)cc1.
What is the InChIKey of 1H-indol-4-yl(triphenyl)phosphanium?
The InChIKey is LGCWWXAZXKIKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NP/c1-4-11-21(12-5-1)28(22-13-6-2-7-14-22,23-15-8-3-9-16-23)26-18-10-17-25-24(26)19-20-27-25/h1-20,27H/q+1.
What are the key properties of 1H-indol-4-yl(triphenyl)phosphanium?
1H-indol-4-yl(triphenyl)phosphanium has a molecular weight of 378.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl(triphenyl)phosphanium is sourced from PubChem (CID 177284142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).