(9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium

C22H27N2O+ — CID 20753903

IUPAC(9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium
SMILESC[N+](C)=C1C=CC2=Cc3ccc(N4CCOCC4)cc3C(C)(C)C2=C1
InChIInChI=1S/C22H27N2O/c1-22(2)20-14-18(23(3)4)7-5-16(20)13-17-6-8-19(15-21(17)22)24-9-11-25-12-10-24/h5-8,13-15H,9-12H2,1-4H3/q+1
InChIKeyCFUXTKSDHQUBBM-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.41
Rot. Bonds1

About (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium

(9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium (PubChem CID 20753903) has the molecular formula C22H27N2O+ and a molecular weight of 335.47 g/mol. Its IUPAC name is (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium
PubChem CID20753903
Molecular FormulaC22H27N2O+
Molecular Weight335.47 g/mol
Exact Mass335.21
IUPAC Name(9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium
SMILESC[N+](C)=C1C=CC2=Cc3ccc(N4CCOCC4)cc3C(C)(C)C2=C1
InChIInChI=1S/C22H27N2O/c1-22(2)20-14-18(23(3)4)7-5-16(20)13-17-6-8-19(15-21(17)22)24-9-11-25-12-10-24/h5-8,13-15H,9-12H2,1-4H3/q+1
InChIKeyCFUXTKSDHQUBBM-UHFFFAOYSA-N
XLogP3.41
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium?
The IUPAC name of (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium (CID 20753903) is (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium.
What is the SMILES notation for (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium?
The canonical SMILES for (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium is C[N+](C)=C1C=CC2=Cc3ccc(N4CCOCC4)cc3C(C)(C)C2=C1.
What is the InChIKey of (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium?
The InChIKey is CFUXTKSDHQUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2O/c1-22(2)20-14-18(23(3)4)7-5-16(20)13-17-6-8-19(15-21(17)22)24-9-11-25-12-10-24/h5-8,13-15H,9-12H2,1-4H3/q+1.
What are the key properties of (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium?
(9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium has a molecular weight of 335.47 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethyl-7-morpholin-4-ylanthracen-2-ylidene)-dimethylazanium is sourced from PubChem (CID 20753903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).