CID 11285543

C33H25F6P2 — CID 11285543

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C33H25F6P2/c1-23(30-13-8-14-31(30)41(26-9-4-2-5-10-26)27-11-6-3-7-12-27)40(28-19-15-24(16-20-28)32(34,35)36)29-21-17-25(18-22-29)33(37,38)39/h2-23H,1H3/t23-/m1/s1
InChIKeyUTMUBTAMUMLIQB-HSZRJFAPSA-N
MW597.50 g/mol
LogP8.41
Rot. Bonds7

About CID 11285543

CID 11285543 (PubChem CID 11285543) has the molecular formula C33H25F6P2 and a molecular weight of 597.50 g/mol.

Molecular Properties

Compound NameCID 11285543
PubChem CID11285543
Molecular FormulaC33H25F6P2
Molecular Weight597.50 g/mol
Exact Mass597.13
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C33H25F6P2/c1-23(30-13-8-14-31(30)41(26-9-4-2-5-10-26)27-11-6-3-7-12-27)40(28-19-15-24(16-20-28)32(34,35)36)29-21-17-25(18-22-29)33(37,38)39/h2-23H,1H3/t23-/m1/s1
InChIKeyUTMUBTAMUMLIQB-HSZRJFAPSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.50
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 11285543?
The IUPAC name of CID 11285543 (CID 11285543) is not available.
What is the SMILES notation for CID 11285543?
The canonical SMILES for CID 11285543 is C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of CID 11285543?
The InChIKey is UTMUBTAMUMLIQB-HSZRJFAPSA-N. The full InChI is InChI=1S/C33H25F6P2/c1-23(30-13-8-14-31(30)41(26-9-4-2-5-10-26)27-11-6-3-7-12-27)40(28-19-15-24(16-20-28)32(34,35)36)29-21-17-25(18-22-29)33(37,38)39/h2-23H,1H3/t23-/m1/s1.
What are the key properties of CID 11285543?
CID 11285543 has a molecular weight of 597.50 g/mol, XLogP of 8.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11285543 is sourced from PubChem (CID 11285543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).