CID 11498923

C41H27F12P2 — CID 11498923

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C41H27F12P2/c1-25(30-16-10-17-31(30)32-15-8-9-18-35(32)55(28-11-4-2-5-12-28)29-13-6-3-7-14-29)54(36-21-19-26(38(42,43)44)23-33(36)40(48,49)50)37-22-20-27(39(45,46)47)24-34(37)41(51,52)53/h2-25H,1H3/t25-/m1/s1
InChIKeyLYVKGWWVFBWQSL-RUZDIDTESA-N
MW809.59 g/mol
LogP11.16
Rot. Bonds8

About CID 11498923

CID 11498923 (PubChem CID 11498923) has the molecular formula C41H27F12P2 and a molecular weight of 809.59 g/mol.

Molecular Properties

Compound NameCID 11498923
PubChem CID11498923
Molecular FormulaC41H27F12P2
Molecular Weight809.59 g/mol
Exact Mass809.14
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C41H27F12P2/c1-25(30-16-10-17-31(30)32-15-8-9-18-35(32)55(28-11-4-2-5-12-28)29-13-6-3-7-14-29)54(36-21-19-26(38(42,43)44)23-33(36)40(48,49)50)37-22-20-27(39(45,46)47)24-34(37)41(51,52)53/h2-25H,1H3/t25-/m1/s1
InChIKeyLYVKGWWVFBWQSL-RUZDIDTESA-N
XLogP11.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.59
LogP ≤ 511.16
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 11498923?
The IUPAC name of CID 11498923 (CID 11498923) is not available.
What is the SMILES notation for CID 11498923?
The canonical SMILES for CID 11498923 is C[C@H]([C]1[CH][CH][CH][C]1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of CID 11498923?
The InChIKey is LYVKGWWVFBWQSL-RUZDIDTESA-N. The full InChI is InChI=1S/C41H27F12P2/c1-25(30-16-10-17-31(30)32-15-8-9-18-35(32)55(28-11-4-2-5-12-28)29-13-6-3-7-14-29)54(36-21-19-26(38(42,43)44)23-33(36)40(48,49)50)37-22-20-27(39(45,46)47)24-34(37)41(51,52)53/h2-25H,1H3/t25-/m1/s1.
What are the key properties of CID 11498923?
CID 11498923 has a molecular weight of 809.59 g/mol, XLogP of 11.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11498923 is sourced from PubChem (CID 11498923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).