(S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene

Catalog Number	ACM494227371-2
CAS	494227-37-1
Structure
Molecular Weight	1053.10
Molecular Formula	C64H74FeN2O4P2
InChI	HEJIDMKBSDYNOY-UHFFFAOYSA-N
InChI Key	InChI=1S/2C32H37NO2P.Fe/c2*1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;/h2*9-20,30H,1-8H3;
Purity	97%+
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C3=CC=CC=C3)N(C)C)C4=CC(=C(C(=C4)C)OC)C.CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C3=CC=CC=C3)N(C)C)C4=CC(=C(C(=C4)C)OC)C.[Fe]

Q&A

What is the molecular formula of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The molecular formula is C64H84FeN2O4P2.

What is the exact mass of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The exact mass is 1062.525569.

How many covalently-bonded units are there in (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

There are 3 covalently-bonded units.

What is the canonical SMILES representation of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The canonical SMILES is CC1=CC(=CC(=C1OC)C)P(C2CCCC2C(C3=CC=CC=C3)N(C)C)C4=CC(=C(C(=C4)C)OC)C.CC1=CC(=CC(=C1OC)C)P(C2CCCC2C(C3=CC=CC=C3)N(C)C)C4=CC(=C(C(=C4)C)OC)C.[Fe]

How many hydrogen bond acceptors are there in (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

There are 6 hydrogen bond acceptors.

What is the name of the depositor-supplied synonym for (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The depositor-supplied synonym is 876608-69-4.

What is the IUPAC name of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The IUPAC name is 1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;iron.

How many heavy atoms are present in (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

There are 73 heavy atoms.

What is the topological polar surface area of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The topological polar surface area is 43.4.

What is the molecular weight of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene with (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-dimethyl-4-methoxyphenyl)phosphino]ferrocene?

The molecular weight is 1063.2g/mol.