(S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldiphenylphosphine

• CAS: 565184-37-4
• Catalog Number: ACM565184374-1
• Category: Other Products
• Molecular Weight: 658.53
• Molecular Formula: C42H36FeP2
• Synonyms: (1S)-1-[(1S)-1-(Diphenylphosphino)ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene
• IUPAC Name: cyclopenta-1,3-diene;[2-[5-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]phenyl]-diphenylphosphane;iron(2+)
• InChI: UOZGNUVEBIDUPV-UHFFFAOYSA-N
• InChI Key: InChI=1S/C37H31P2.C5H5.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h2-29H,1H3;1-5H
• Melting Point: 157-170 °C
• Appearance: Solid
• Exact Mass: 658.16400
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Isomeric SMILES: CC([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[Fe]

Custom Q&A

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation of the compound is CC([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.[CH]1[CH][CH][CH][CH]1.[Fe]

What is the Computed Properties Complexity of the compound?

The Computed Properties Complexity of the compound is 672.

How many Covalently-Bonded Units are present in the compound?

There are 3 Covalently-Bonded Units present in the compound.

How many Rotatable Bond Counts are there in the compound?

There are 8 Rotatable Bond Counts in the compound.

What is the Exact Mass of the compound?

The Exact Mass of the compound is 658.164161.

What is the Molecular Formula of the compound?

The Molecular Formula of the compound is C42H36FeP2.

What is the InChIKey of the compound?

The InChIKey of the compound is UOZGNUVEBIDUPV-SYXKTQFYSA-N.