P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]

Catalog Number	ACM349100750-2
CAS	349100-75-0
Synonyms	N-[[5-[Bis(Diethylamino)Phosphanyl]-9,9-Dimethylxanthen-4-Yl]-(Diethylamino)Phosphanyl]-N-Ethylethanamine
IUPAC Name	N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
Molecular Weight	558.72
Molecular Formula	C31H52N4OP2
Canonical SMILES	CCN(CC)P(C1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3P(N(CC)CC)N(CC)CC)N(CC)CC
InChI	APRIDPKHBSWSHQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C31H52N4OP2/c1-11-32(12-2)37(33(13-3)14-4)27-23-19-21-25-29(27)36-30-26(31(25,9)10)22-20-24-28(30)38(34(15-5)16-6)35(17-7)18-8/h19-24H,11-18H2,1-10H3
Boiling Point	627.9±55.0 °C(Predicted)
Melting Point	99-104 °C
Purity	98%
Exact Mass	558.36200
Isomeric SMILES	CCN(CC)P(C1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3P(N(CC)CC)N(CC)CC)N(CC)CC
pKa	7.20±0.40(Predicted)

Q&A

What is the InChIKey of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

APRIDPKHBSWSHQ-UHFFFAOYSA-N

What is the Canonical SMILES of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

CCN(CC)P(C1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3P(N(CC)CC)N(CC)CC

What is the Computed Properties Heavy Atom Count of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

38

What is the Computed Properties Rotatable Bond Count of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

14

What is the Computed Properties XLogP3 of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

7.3

What is the Depositor-Supplied Synonym for P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide] with CAS number 349100-75-0?

Xantphos based ligand

What is the IUPAC Name of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine

What is the Molecular Formula of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

C31H52N4OP2

What is the Molecular Weight of P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]?

558.7g/mol