CID 134978203

C32H20F12O3P- — CID 134978203

IUPAC—
SMILESFC(F)(F)C1(C(F)(F)F)O[P-]23(OC(c4ccccc4)C2c2ccccc2)(OC(C(F)(F)F)(C(F)(F)F)c2ccccc23)c2ccccc21
InChIInChI=1S/C32H20F12O3P/c33-29(34,35)27(30(36,37)38)21-15-7-9-17-23(21)48(46-27,24-18-10-8-16-22(24)28(47-48,31(39,40)41)32(42,43)44)26(20-13-5-2-6-14-20)25(45-48)19-11-3-1-4-12-19/h1-18,25-26H/q-1
InChIKeySWKGRJUJHLYXMR-UHFFFAOYSA-N
MW711.46 g/mol
LogP9.68
Rot. Bonds2

About CID 134978203

CID 134978203 (PubChem CID 134978203) has the molecular formula C32H20F12O3P- and a molecular weight of 711.46 g/mol.

Molecular Properties

Compound NameCID 134978203
PubChem CID134978203
Molecular FormulaC32H20F12O3P-
Molecular Weight711.46 g/mol
Exact Mass711.10
IUPAC Name—
SMILESFC(F)(F)C1(C(F)(F)F)O[P-]23(OC(c4ccccc4)C2c2ccccc2)(OC(C(F)(F)F)(C(F)(F)F)c2ccccc23)c2ccccc21
InChIInChI=1S/C32H20F12O3P/c33-29(34,35)27(30(36,37)38)21-15-7-9-17-23(21)48(46-27,24-18-10-8-16-22(24)28(47-48,31(39,40)41)32(42,43)44)26(20-13-5-2-6-14-20)25(45-48)19-11-3-1-4-12-19/h1-18,25-26H/q-1
InChIKeySWKGRJUJHLYXMR-UHFFFAOYSA-N
XLogP9.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.46
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134978203?
The IUPAC name of CID 134978203 (CID 134978203) is not available.
What is the SMILES notation for CID 134978203?
The canonical SMILES for CID 134978203 is FC(F)(F)C1(C(F)(F)F)O[P-]23(OC(c4ccccc4)C2c2ccccc2)(OC(C(F)(F)F)(C(F)(F)F)c2ccccc23)c2ccccc21.
What is the InChIKey of CID 134978203?
The InChIKey is SWKGRJUJHLYXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F12O3P/c33-29(34,35)27(30(36,37)38)21-15-7-9-17-23(21)48(46-27,24-18-10-8-16-22(24)28(47-48,31(39,40)41)32(42,43)44)26(20-13-5-2-6-14-20)25(45-48)19-11-3-1-4-12-19/h1-18,25-26H/q-1.
What are the key properties of CID 134978203?
CID 134978203 has a molecular weight of 711.46 g/mol, XLogP of 9.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134978203 is sourced from PubChem (CID 134978203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).