1H-inden-1-yloxy(triphenyl)phosphanium

C27H22OP+ — CID 139734736

IUPAC1H-inden-1-yloxy(triphenyl)phosphanium
SMILESC1=CC(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H22OP/c1-4-13-23(14-5-1)29(24-15-6-2-7-16-24,25-17-8-3-9-18-25)28-27-21-20-22-12-10-11-19-26(22)27/h1-21,27H/q+1
InChIKeyKZNIDICDWOZOBN-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.68
Rot. Bonds5

About 1H-inden-1-yloxy(triphenyl)phosphanium

1H-inden-1-yloxy(triphenyl)phosphanium (PubChem CID 139734736) has the molecular formula C27H22OP+ and a molecular weight of 393.45 g/mol. Its IUPAC name is 1H-inden-1-yloxy(triphenyl)phosphanium.

Molecular Properties

Compound Name1H-inden-1-yloxy(triphenyl)phosphanium
PubChem CID139734736
Molecular FormulaC27H22OP+
Molecular Weight393.45 g/mol
Exact Mass393.14
IUPAC Name1H-inden-1-yloxy(triphenyl)phosphanium
SMILESC1=CC(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H22OP/c1-4-13-23(14-5-1)29(24-15-6-2-7-16-24,25-17-8-3-9-18-25)28-27-21-20-22-12-10-11-19-26(22)27/h1-21,27H/q+1
InChIKeyKZNIDICDWOZOBN-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-inden-1-yl formate
CID 54514146
(1S)-1-phenyl-1H-indene
CID 86309914
1H-inden-1-yl carbamate
CID 57124867
1-prop-2-enoxy-1H-indene
CID 166691848
1-methanidyl-1H-indene;zirconium
CID 172710761
1H-inden-1-yl 2,2,2-trichloroacetate
CID 134849846
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
CID 123870032
diiodotitanium;1-phenyl-1H-indene
CID 174711312
1H-inden-1-amine
CID 14298803
1H-inden-1-yl(trimethyl)plumbane
CID 23269464
1-(2-methoxyphenyl)-1H-indene
CID 15345370

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yloxy(triphenyl)phosphanium?
The IUPAC name of 1H-inden-1-yloxy(triphenyl)phosphanium (CID 139734736) is 1H-inden-1-yloxy(triphenyl)phosphanium.
What is the SMILES notation for 1H-inden-1-yloxy(triphenyl)phosphanium?
The canonical SMILES for 1H-inden-1-yloxy(triphenyl)phosphanium is C1=CC(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1H-inden-1-yloxy(triphenyl)phosphanium?
The InChIKey is KZNIDICDWOZOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22OP/c1-4-13-23(14-5-1)29(24-15-6-2-7-16-24,25-17-8-3-9-18-25)28-27-21-20-22-12-10-11-19-26(22)27/h1-21,27H/q+1.
What are the key properties of 1H-inden-1-yloxy(triphenyl)phosphanium?
1H-inden-1-yloxy(triphenyl)phosphanium has a molecular weight of 393.45 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yloxy(triphenyl)phosphanium is sourced from PubChem (CID 139734736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).