N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine

C42H42NP3 — CID 23504438

IUPACN,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine
SMILESPCC(c1ccccc1)(c1ccccc1)N(C(CP)(c1ccccc1)c1ccccc1)C(CP)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H42NP3/c44-31-40(34-19-7-1-8-20-34,35-21-9-2-10-22-35)43(41(32-45,36-23-11-3-12-24-36)37-25-13-4-14-26-37)42(33-46,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30H,31-33,44-46H2
InChIKeyKEVWXYZOLXEBAL-UHFFFAOYSA-N
MW653.73 g/mol
LogP9.75
Rot. Bonds12

About N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine

N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine (PubChem CID 23504438) has the molecular formula C42H42NP3 and a molecular weight of 653.73 g/mol. Its IUPAC name is N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine.

Molecular Properties

Compound NameN,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine
PubChem CID23504438
Molecular FormulaC42H42NP3
Molecular Weight653.73 g/mol
Exact Mass653.25
IUPAC NameN,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine
SMILESPCC(c1ccccc1)(c1ccccc1)N(C(CP)(c1ccccc1)c1ccccc1)C(CP)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H42NP3/c44-31-40(34-19-7-1-8-20-34,35-21-9-2-10-22-35)43(41(32-45,36-23-11-3-12-24-36)37-25-13-4-14-26-37)42(33-46,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30H,31-33,44-46H2
InChIKeyKEVWXYZOLXEBAL-UHFFFAOYSA-N
XLogP9.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.73
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(+)-N-Benzyl-(3R,4R)-bis(diphenylphosphino)pyrrolidine
CID 10985824
N,N-dibenzyl-1,1,1-triphenylmethanamine
CID 39354133
N1,N5-Ditritylpentane-1,5-diamine
CID 4614667
(R)-(+)-N,N-Bis(2-diphenylphosphinoethyl)-1-phenylethylamine
CID 10887135
(S)-(-)-N,N-Bis(2-diphenylphosphinoethyl)-1-phenylethylamine
CID 12743567
(3S,4S)-1-Benzyl-3,4-bis(diphenylphosphanyl)pyrrolidine
CID 10907542
Trityl tritylamine
CID 11170044
1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 76689547
azi-Triphenylmethan
CID 85788215
1-(Triphenylmethyl)-1,2,3,6-tetrahydropyridine
CID 186887
4-[Bis(4-fluorophenyl)methyl]-1-tritylpiperidine
CID 57322945
Benzyl(trityl)cyanamide;chloro(triphenyl)stannane
CID 434627

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine?
The IUPAC name of N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine (CID 23504438) is N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine.
What is the SMILES notation for N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine?
The canonical SMILES for N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine is PCC(c1ccccc1)(c1ccccc1)N(C(CP)(c1ccccc1)c1ccccc1)C(CP)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine?
The InChIKey is KEVWXYZOLXEBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42NP3/c44-31-40(34-19-7-1-8-20-34,35-21-9-2-10-22-35)43(41(32-45,36-23-11-3-12-24-36)37-25-13-4-14-26-37)42(33-46,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30H,31-33,44-46H2.
What are the key properties of N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine?
N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine has a molecular weight of 653.73 g/mol, XLogP of 9.75, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine is sourced from PubChem (CID 23504438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).