N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine

C25H33N3P2 — CID 23416432

IUPACN-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C25H33N3P2/c1-26(2)30(27(3)4,28(5)6)22-29(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,1-6H3
InChIKeyHKLVAKZOJXXDPH-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.06
Rot. Bonds6

About N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine

N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 23416432) has the molecular formula C25H33N3P2 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine
PubChem CID23416432
Molecular FormulaC25H33N3P2
Molecular Weight437.51 g/mol
Exact Mass437.21
IUPAC NameN-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C25H33N3P2/c1-26(2)30(27(3)4,28(5)6)22-29(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,1-6H3
InChIKeyHKLVAKZOJXXDPH-UHFFFAOYSA-N
XLogP4.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine (CID 23416432) is N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is HKLVAKZOJXXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3P2/c1-26(2)30(27(3)4,28(5)6)22-29(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21H,1-6H3.
What are the key properties of N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 437.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 23416432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).