(1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene

Catalog Number	ACM155941314-1
CAS	155941-31-4
Structure
Synonyms	Cyclopentane
IUPAC Name	cyclopentane;1-(2-diphenylphosphanylcyclopentyl)ethyl-diphenylphosphane;iron
Molecular Weight	592.50
Molecular Formula	C36H32FeP2
InChI	YJKNDFBUHDCTRC-UHFFFAOYSA-N
InChI Key	InChI=1S/C31H32P2.C5H10.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-13,15-22,25,30-31H,14,23-24H2,1H3;1-5H2;
Melting Point	54-64 °C
Purity	97%+
Appearance	Solid
Isomeric SMILES	CC(C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.C1CCCC1.[Fe]

Q&A

What is the molecular formula of (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

The molecular formula is C36H42FeP2.

What is the exact mass of (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

The exact mass is 592.211111 g/mol.

What is the IUPAC name of (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

The IUPAC name is cyclopentane;[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]-diphenylphosphane;iron.

How many heavy atoms are present in (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

There are 39 heavy atoms present.

What is the canonical SMILES of (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

CC(C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.C1CCCC1.[Fe]

How many rotatable bonds does (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene have?

(1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene has 7 rotatable bonds.

What is the computed properties complexity of (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

The complexity is 527.

How many covalently-bonded units are present in (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

There are 3 covalently-bonded units.

Does (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene have any hydrogen bond acceptor count?

No, (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene does not have any hydrogen bond acceptor count.

What is the isomeric SMILES of (1S)-1-(Diphenylphosphino)-2-[(1R)-1- (diphenylphosphino)ethyl]ferrocene?

C[C@H](C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5.C1CCCC1.[Fe]