(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide

C30H19F6OP — CID 177405135

IUPAC(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide
SMILESO=P1(c2ccccc2)C(c2ccc(C(F)(F)F)cc2)=C/C1=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H19F6OP/c31-29(32,33)23-15-11-20(12-16-23)26-19-27(38(26,37)25-9-5-2-6-10-25)28(21-7-3-1-4-8-21)22-13-17-24(18-14-22)30(34,35)36/h1-19H/b28-27-
InChIKeyXACZHKCEEZSARQ-DQSJHHFOSA-N
MW540.44 g/mol
LogP9.23
Rot. Bonds4

About (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide

(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide (PubChem CID 177405135) has the molecular formula C30H19F6OP and a molecular weight of 540.44 g/mol. Its IUPAC name is (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide.

Molecular Properties

Compound Name(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide
PubChem CID177405135
Molecular FormulaC30H19F6OP
Molecular Weight540.44 g/mol
Exact Mass540.11
IUPAC Name(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide
SMILESO=P1(c2ccccc2)C(c2ccc(C(F)(F)F)cc2)=C/C1=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H19F6OP/c31-29(32,33)23-15-11-20(12-16-23)26-19-27(38(26,37)25-9-5-2-6-10-25)28(21-7-3-1-4-8-21)22-13-17-24(18-14-22)30(34,35)36/h1-19H/b28-27-
InChIKeyXACZHKCEEZSARQ-DQSJHHFOSA-N
XLogP9.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.44
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 101352816
CID 101352816
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CID 161391832
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CID 140898953

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide?
The IUPAC name of (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide (CID 177405135) is (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide.
What is the SMILES notation for (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide?
The canonical SMILES for (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide is O=P1(c2ccccc2)C(c2ccc(C(F)(F)F)cc2)=C/C1=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide?
The InChIKey is XACZHKCEEZSARQ-DQSJHHFOSA-N. The full InChI is InChI=1S/C30H19F6OP/c31-29(32,33)23-15-11-20(12-16-23)26-19-27(38(26,37)25-9-5-2-6-10-25)28(21-7-3-1-4-8-21)22-13-17-24(18-14-22)30(34,35)36/h1-19H/b28-27-.
What are the key properties of (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide?
(2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide has a molecular weight of 540.44 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-phenyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]-4-[4-(trifluoromethyl)phenyl]-1λ5-phosphete 1-oxide is sourced from PubChem (CID 177405135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).