CID 59839451

C24H23N2O+ — CID 59839451

IUPAC—
SMILES[CH]c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12
InChIInChI=1S/C24H23N2O/c1-16-8-6-7-9-19(16)24-20-12-10-17(25(2)3)14-22(20)27-23-15-18(26(4)5)11-13-21(23)24/h1,6-15H,2-5H3/q+1
InChIKeyJISHWBJAHRZPPL-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.36
Rot. Bonds2

About CID 59839451

CID 59839451 (PubChem CID 59839451) has the molecular formula C24H23N2O+ and a molecular weight of 355.46 g/mol.

Molecular Properties

Compound NameCID 59839451
PubChem CID59839451
Molecular FormulaC24H23N2O+
Molecular Weight355.46 g/mol
Exact Mass355.18
IUPAC Name—
SMILES[CH]c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12
InChIInChI=1S/C24H23N2O/c1-16-8-6-7-9-19(16)24-20-12-10-17(25(2)3)14-22(20)27-23-15-18(26(4)5)11-13-21(23)24/h1,6-15H,2-5H3/q+1
InChIKeyJISHWBJAHRZPPL-UHFFFAOYSA-N
XLogP4.36
TPSA19.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 175727431
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[6-(dimethylamino)-9-(2,5-dimethylphenyl)xanthen-3-ylidene]-dimethylazanium
CID 59821373
[9-[2-(tert-butylsulfanylmethyl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 58013686
[6-(dimethylamino)-9-methylxanthen-3-ylidene]-dimethylazanium
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[6-(dimethylamino)-9-(4-ethylphenyl)xanthen-3-ylidene]-dimethylazanium
CID 22946669
[9-[4-(chloromethyl)phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium bromide
CID 45267002
[9-(2-carboxyphenyl)-6-[ethyl(methyl)amino]xanthen-3-ylidene]-dimethylazanium
CID 168793597
5-chlorosulfonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 177399590
[6-(dimethylamino)-9-[2-[4-(2-iodoacetyl)piperazin-1-yl]sulfonylphenyl]xanthen-3-ylidene]-dimethylazanium
CID 11505665
[9-(5-carbamoyl-2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 100948894
[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium
CID 58120347

Frequently Asked Questions

What is the IUPAC name of CID 59839451?
The IUPAC name of CID 59839451 (CID 59839451) is not available.
What is the SMILES notation for CID 59839451?
The canonical SMILES for CID 59839451 is [CH]c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12.
What is the InChIKey of CID 59839451?
The InChIKey is JISHWBJAHRZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2O/c1-16-8-6-7-9-19(16)24-20-12-10-17(25(2)3)14-22(20)27-23-15-18(26(4)5)11-13-21(23)24/h1,6-15H,2-5H3/q+1.
What are the key properties of CID 59839451?
CID 59839451 has a molecular weight of 355.46 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59839451 is sourced from PubChem (CID 59839451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).