CID 11318422

C25H29NP+ — CID 11318422

IUPAC—
SMILESCC(C)N([C][P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C25H29NP/c1-21(2)26(22(3)4)20-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21-22H,1-4H3/q+1
InChIKeyLGGXXNNTCNNGOQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.10
Rot. Bonds7

About CID 11318422

CID 11318422 (PubChem CID 11318422) has the molecular formula C25H29NP+ and a molecular weight of 374.49 g/mol.

Molecular Properties

Compound NameCID 11318422
PubChem CID11318422
Molecular FormulaC25H29NP+
Molecular Weight374.49 g/mol
Exact Mass374.20
IUPAC Name—
SMILESCC(C)N([C][P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C25H29NP/c1-21(2)26(22(3)4)20-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21-22H,1-4H3/q+1
InChIKeyLGGXXNNTCNNGOQ-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11318422?
The IUPAC name of CID 11318422 (CID 11318422) is not available.
What is the SMILES notation for CID 11318422?
The canonical SMILES for CID 11318422 is CC(C)N([C][P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of CID 11318422?
The InChIKey is LGGXXNNTCNNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NP/c1-21(2)26(22(3)4)20-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21-22H,1-4H3/q+1.
What are the key properties of CID 11318422?
CID 11318422 has a molecular weight of 374.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11318422 is sourced from PubChem (CID 11318422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).