2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium

C40H40NP3Ru — CID 90421643

IUPAC2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
SMILESNCCP(c1ccccc1)c1ccccc1.[Ru].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C14H16NP.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-20H,21-22H2;1-10H,11-12,15H2;
InChIKeyRBMNITRBYFUBJR-UHFFFAOYSA-N
MW728.76 g/mol
LogP7.33
Rot. Bonds11

About 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium

2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium (PubChem CID 90421643) has the molecular formula C40H40NP3Ru and a molecular weight of 728.76 g/mol. Its IUPAC name is 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium.

Molecular Properties

Compound Name2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
PubChem CID90421643
Molecular FormulaC40H40NP3Ru
Molecular Weight728.76 g/mol
Exact Mass729.14
IUPAC Name2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
SMILESNCCP(c1ccccc1)c1ccccc1.[Ru].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C14H16NP.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-20H,21-22H2;1-10H,11-12,15H2;
InChIKeyRBMNITRBYFUBJR-UHFFFAOYSA-N
XLogP7.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.76
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 170997457
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)
CID 159312265
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
CID 10930139
CID 10930139
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
CID 172852253
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium?
The IUPAC name of 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium (CID 90421643) is 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium.
What is the SMILES notation for 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium?
The canonical SMILES for 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium is NCCP(c1ccccc1)c1ccccc1.[Ru].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium?
The InChIKey is RBMNITRBYFUBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.C14H16NP.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-20H,21-22H2;1-10H,11-12,15H2;.
What are the key properties of 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium?
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium has a molecular weight of 728.76 g/mol, XLogP of 7.33, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium is sourced from PubChem (CID 90421643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).