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

C23H27ClN2P2 — CID 23416421

IUPACN-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(Cl)(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C23H27ClN2P2/c1-25(2)28(24,26(3)4)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,1-4H3
InChIKeyFLCCRGUKQFERRW-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.74
Rot. Bonds5

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

N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 23416421) has the molecular formula C23H27ClN2P2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine
PubChem CID23416421
Molecular FormulaC23H27ClN2P2
Molecular Weight428.88 g/mol
Exact Mass428.13
IUPAC NameN-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(Cl)(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C23H27ClN2P2/c1-25(2)28(24,26(3)4)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,1-4H3
InChIKeyFLCCRGUKQFERRW-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine (CID 23416421) is N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(Cl)(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is FLCCRGUKQFERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2P2/c1-25(2)28(24,26(3)4)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,1-4H3.
What are the key properties of N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine?
N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 428.88 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(dimethylamino)-[(triphenyl-λ5-phosphanylidene)methylidene]-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 23416421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).