(S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine

Catalog Number	ACM849925220-1
CAS	849925-22-0
Structure
Synonyms	(S)-1-[(S)-1-[Bis[3,5-Bis(Trifluoromethyl)Phenyl]Phosphino] Ethyl]-2-[2-(Dicyclohexylphosphino)Phenyl]Ferrocene
Molecular Weight	942.61
Molecular Formula	C46H44F12FeP2
InChI	XSNPQORPLUHYID-UHFFFAOYSA-N
InChI Key	InChI=1S/C41H39F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h8-10,15-25,30-31H,2-7,11-14H2,1H3;1-5H;
Purity	98%
Appearance	Solid
Isomeric SMILES	CC([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe]
Type	Walphos

Q&A

What is the molecular formula of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The molecular formula of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is C46H44F12FeP2.

What is the exact mass of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The exact mass of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is 942.207599.

How many covalently-bonded units are present in (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

There are 3 covalently-bonded units present in (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine.

How many rotatable bond counts are there in (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

There are 7 rotatable bond counts in (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine.

What is the Canonical SMILES of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The Canonical SMILES of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is CC(C1=CC=CC1=C2C=CC=C[C-]2P(C3CCCCC3)C4CCCCC4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH-]1C=CC=C1.[Fe+2]

How many hydrogen bond acceptor counts are there in (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

There are 14 hydrogen bond acceptor counts in (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine.

What is the Computed Properties Complexity of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The Computed Properties Complexity of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is 1370.

What is the IUPAC Name of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The IUPAC Name of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is bis[3,5-bis(trifluoromethyl)phenyl]-[1-[(5E)-5-(6-dicyclohexylphosphanylcyclohexa-2,4-dien-1-ylidene)cyclopenta-1,3-dien-1-yl]ethyl]phosphane;cyclopenta-1,3-diene;iron(2+)

What is the monoistopic mass of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The monoistopic mass of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is 942.207599.

What is the InChI key of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine?

The InChI key of (S)-1-{(SP)-2-[2-(Dicyclohexylphosphino)phenyl]ferrocenyl}ethylbis[3,5-bis(trifluoromethyl)phenyl]phosphine is BEFBXRPJLRZLJE-APVPWGIASA-N.