N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine

C23H27N3P2S — CID 89017166

IUPACN-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine
SMILESCN(C)N=Cc1ccc(P(=NP(C)(C)=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H27N3P2S/c1-26(2)24-19-20-15-17-23(18-16-20)28(25-27(3,4)29,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19H,1-4H3
InChIKeyOXGBCRYZVPFWKS-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.71
Rot. Bonds6

About N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine

N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine (PubChem CID 89017166) has the molecular formula C23H27N3P2S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine
PubChem CID89017166
Molecular FormulaC23H27N3P2S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC NameN-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine
SMILESCN(C)N=Cc1ccc(P(=NP(C)(C)=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H27N3P2S/c1-26(2)24-19-20-15-17-23(18-16-20)28(25-27(3,4)29,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19H,1-4H3
InChIKeyOXGBCRYZVPFWKS-UHFFFAOYSA-N
XLogP4.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine (CID 89017166) is N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine is CN(C)N=Cc1ccc(P(=NP(C)(C)=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine?
The InChIKey is OXGBCRYZVPFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3P2S/c1-26(2)24-19-20-15-17-23(18-16-20)28(25-27(3,4)29,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-19H,1-4H3.
What are the key properties of N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine?
N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine has a molecular weight of 439.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[dimethylphosphinothioylimino(diphenyl)-λ5-phosphanyl]phenyl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 89017166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).