1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium

C34H34P5+ — CID 102321379

IUPAC1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium
SMILESCC(C)(C)[P+]1(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P1c1ccccc1
InChIInChI=1S/C34H34P5/c1-34(2,3)39(33-27-17-8-18-28-33)37(31-23-13-6-14-24-31)35(29-19-9-4-10-20-29)36(30-21-11-5-12-22-30)38(39)32-25-15-7-16-26-32/h4-28H,1-3H3/q+1
InChIKeyXHHLEYJMTRJBAV-UHFFFAOYSA-N
MW597.52 g/mol
LogP9.95
Rot. Bonds5

About 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium

1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium (PubChem CID 102321379) has the molecular formula C34H34P5+ and a molecular weight of 597.52 g/mol. Its IUPAC name is 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium.

Molecular Properties

Compound Name1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium
PubChem CID102321379
Molecular FormulaC34H34P5+
Molecular Weight597.52 g/mol
Exact Mass597.13
IUPAC Name1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium
SMILESCC(C)(C)[P+]1(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P1c1ccccc1
InChIInChI=1S/C34H34P5/c1-34(2,3)39(33-27-17-8-18-28-33)37(31-23-13-6-14-24-31)35(29-19-9-4-10-20-29)36(30-21-11-5-12-22-30)38(39)32-25-15-7-16-26-32/h4-28H,1-3H3/q+1
InChIKeyXHHLEYJMTRJBAV-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.52
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium?
The IUPAC name of 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium (CID 102321379) is 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium.
What is the SMILES notation for 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium?
The canonical SMILES for 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium is CC(C)(C)[P+]1(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P(c2ccccc2)P1c1ccccc1.
What is the InChIKey of 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium?
The InChIKey is XHHLEYJMTRJBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34P5/c1-34(2,3)39(33-27-17-8-18-28-33)37(31-23-13-6-14-24-31)35(29-19-9-4-10-20-29)36(30-21-11-5-12-22-30)38(39)32-25-15-7-16-26-32/h4-28H,1-3H3/q+1.
What are the key properties of 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium?
1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium has a molecular weight of 597.52 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,2,3,4,5-pentakis-phenylpentaphospholan-1-ium is sourced from PubChem (CID 102321379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).