[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium

C26H29N2Se+ — CID 11678770

IUPAC[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium
SMILESCc1cc(C)c(-c2c3ccc(=[N+](C)C)cc-3[se]c3cc(N(C)C)ccc23)c(C)c1
InChIInChI=1S/C26H29N2Se/c1-16-12-17(2)25(18(3)13-16)26-21-10-8-19(27(4)5)14-23(21)29-24-15-20(28(6)7)9-11-22(24)26/h8-15H,1-7H3/q+1
InChIKeyKHPLTYZUXIFDEW-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.69
Rot. Bonds2

About [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium

[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium (PubChem CID 11678770) has the molecular formula C26H29N2Se+ and a molecular weight of 448.49 g/mol. Its IUPAC name is [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium
PubChem CID11678770
Molecular FormulaC26H29N2Se+
Molecular Weight448.49 g/mol
Exact Mass449.15
IUPAC Name[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium
SMILESCc1cc(C)c(-c2c3ccc(=[N+](C)C)cc-3[se]c3cc(N(C)C)ccc23)c(C)c1
InChIInChI=1S/C26H29N2Se/c1-16-12-17(2)25(18(3)13-16)26-21-10-8-19(27(4)5)14-23(21)29-24-15-20(28(6)7)9-11-22(24)26/h8-15H,1-7H3/q+1
InChIKeyKHPLTYZUXIFDEW-UHFFFAOYSA-N
XLogP4.69
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium
CID 11504090
[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
CID 11504089
[9-(2-carboxyphenyl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethylazanium
CID 11496779
[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)selenoxanthen-3-ylidene]-dimethylazanium
CID 11620293
lithium 5-[3-(dimethylamino)-6-dimethylazaniumylideneselenoxanthen-9-yl]thiophene-2-carboxylate
CID 102081019
[6-(dimethylamino)-9-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selenoxanthen-3-ylidene]-dimethylazanium
CID 11635224
[6-(dimethylamino)-9-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate
CID 11657516
[6-(dimethylamino)-9-(2,5-dimethylphenyl)xanthen-3-ylidene]-dimethylazanium
CID 59821373
[3-(dimethylamino)-12-phenylbenzo[b]selenoxanthen-8-ylidene]-dimethylazanium hexafluorophosphate
CID 127044487
[6-(dimethylamino)-9-methylxanthen-3-ylidene]-dimethylazanium
CID 123156518
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
CID 59839451
CID 59839451

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium?
The IUPAC name of [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium (CID 11678770) is [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium.
What is the SMILES notation for [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium?
The canonical SMILES for [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium is Cc1cc(C)c(-c2c3ccc(=[N+](C)C)cc-3[se]c3cc(N(C)C)ccc23)c(C)c1.
What is the InChIKey of [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium?
The InChIKey is KHPLTYZUXIFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2Se/c1-16-12-17(2)25(18(3)13-16)26-21-10-8-19(27(4)5)14-23(21)29-24-15-20(28(6)7)9-11-22(24)26/h8-15H,1-7H3/q+1.
What are the key properties of [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium?
[6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium has a molecular weight of 448.49 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-9-(2,4,6-trimethylphenyl)selenoxanthen-3-ylidene]-dimethylazanium is sourced from PubChem (CID 11678770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).