[(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)

C42H42F12FeP2 — CID 155882722

About [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)

[(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+) (PubChem CID 155882722) has the molecular formula C42H42F12FeP2 and a molecular weight of 892.57 g/mol. Its IUPAC name is [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+).

Molecular Properties

• Compound Name: [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)
• PubChem CID: 155882722
• Molecular Formula: C42H42F12FeP2
• Molecular Weight: 892.57 g/mol
• Exact Mass: 892.19
• IUPAC Name: [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)
• SMILES: C1CCCC1.C[C@@H](C1=C(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CCC1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.[CH3-].[CH3-].[Fe+2]
• InChI: InChI=1S/C35H26F12P2.C5H10.2CH3.Fe/c1-21(48(26-13-5-22(6-14-26)32(36,37)38)27-15-7-23(8-16-27)33(39,40)41)30-3-2-4-31(30)49(28-17-9-24(10-18-28)34(42,43)44)29-19-11-25(12-20-29)35(45,46)47;1-2-4-5-3-1;;;/h5-21H,2-4H2,1H3;1-5H2;2*1H3;/q;;2*-1;+2/t21-;;;;/m0..../s1
• InChIKey: YTHRDBBHVBKDOH-WUDICJIASA-N
• XLogP: 14.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.57
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)?

The IUPAC name of [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+) (CID 155882722) is [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+).

What is the SMILES notation for [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)?

The canonical SMILES for [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+) is C1CCCC1.C[C@@H](C1=C(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CCC1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.[CH3-].[CH3-].[Fe+2].

What is the InChIKey of [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)?

The InChIKey is YTHRDBBHVBKDOH-WUDICJIASA-N. The full InChI is InChI=1S/C35H26F12P2.C5H10.2CH3.Fe/c1-21(48(26-13-5-22(6-14-26)32(36,37)38)27-15-7-23(8-16-27)33(39,40)41)30-3-2-4-31(30)49(28-17-9-24(10-18-28)34(42,43)44)29-19-11-25(12-20-29)35(45,46)47;1-2-4-5-3-1;;;/h5-21H,2-4H2,1H3;1-5H2;2*1H3;/q;;2*-1;+2/t21-;;;;/m0..../s1.

What are the key properties of [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+)?

[(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+) has a molecular weight of 892.57 g/mol, XLogP of 14.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenten-1-yl]ethyl]-bis[4-(trifluoromethyl)phenyl]phosphane;carbanide;cyclopentane;iron(2+) is sourced from PubChem (CID 155882722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).