5-butyl-5-methylbenzo[b]phosphindol-5-ium

C17H20P+ — CID 173176473

IUPAC5-butyl-5-methylbenzo[b]phosphindol-5-ium
SMILESCCCC[P+]1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H20P/c1-3-4-13-18(2)16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12H,3-4,13H2,1-2H3/q+1
InChIKeyOBHFAPWQCSMZOW-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.07
Rot. Bonds3

About 5-butyl-5-methylbenzo[b]phosphindol-5-ium

5-butyl-5-methylbenzo[b]phosphindol-5-ium (PubChem CID 173176473) has the molecular formula C17H20P+ and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-butyl-5-methylbenzo[b]phosphindol-5-ium.

Molecular Properties

Compound Name5-butyl-5-methylbenzo[b]phosphindol-5-ium
PubChem CID173176473
Molecular FormulaC17H20P+
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-butyl-5-methylbenzo[b]phosphindol-5-ium
SMILESCCCC[P+]1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H20P/c1-3-4-13-18(2)16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12H,3-4,13H2,1-2H3/q+1
InChIKeyOBHFAPWQCSMZOW-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(phenyl)iodanium
CID 87304112
1-butyl-1-methylphosphindol-1-ium
CID 173176462
9-nonyl-9H-fluorene
CID 22568532
bis(9H-fluorene);pentane
CID 159146463
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
lithium butyl(triphenyl)boranuide
CID 23668465
butyl-methyl-phenylphosphane
CID 14832966
bis(9H-fluorene);methane;pentane
CID 158815702
5-methylbenzo[b][1]benzoborole;nonane
CID 91219394
9H-fluorene;henicosane
CID 174789372
5,5-ditert-butylbenzo[b]phosphindol-5-ium
CID 139085011
hexakis(decane);ethylbenzene
CID 173398562

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-methylbenzo[b]phosphindol-5-ium?
The IUPAC name of 5-butyl-5-methylbenzo[b]phosphindol-5-ium (CID 173176473) is 5-butyl-5-methylbenzo[b]phosphindol-5-ium.
What is the SMILES notation for 5-butyl-5-methylbenzo[b]phosphindol-5-ium?
The canonical SMILES for 5-butyl-5-methylbenzo[b]phosphindol-5-ium is CCCC[P+]1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-butyl-5-methylbenzo[b]phosphindol-5-ium?
The InChIKey is OBHFAPWQCSMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20P/c1-3-4-13-18(2)16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12H,3-4,13H2,1-2H3/q+1.
What are the key properties of 5-butyl-5-methylbenzo[b]phosphindol-5-ium?
5-butyl-5-methylbenzo[b]phosphindol-5-ium has a molecular weight of 255.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-methylbenzo[b]phosphindol-5-ium is sourced from PubChem (CID 173176473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).