7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium

C25H32N+ — CID 123607172

IUPAC7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium
SMILESC=C1[n+]2ccccc2-c2cc3c(cc2C1(CC)CC)C(C)(C)CC3(C)C
InChIInChI=1S/C25H32N/c1-8-25(9-2)17(3)26-13-11-10-12-22(26)18-14-20-21(15-19(18)25)24(6,7)16-23(20,4)5/h10-15H,3,8-9,16H2,1-2,4-7H3/q+1
InChIKeyACILZWJANNNVCA-UHFFFAOYSA-N
MW346.54 g/mol
LogP6.14
Rot. Bonds2

About 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium

7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium (PubChem CID 123607172) has the molecular formula C25H32N+ and a molecular weight of 346.54 g/mol. Its IUPAC name is 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium.

Molecular Properties

Compound Name7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium
PubChem CID123607172
Molecular FormulaC25H32N+
Molecular Weight346.54 g/mol
Exact Mass346.25
IUPAC Name7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium
SMILESC=C1[n+]2ccccc2-c2cc3c(cc2C1(CC)CC)C(C)(C)CC3(C)C
InChIInChI=1S/C25H32N/c1-8-25(9-2)17(3)26-13-11-10-12-22(26)18-14-20-21(15-19(18)25)24(6,7)16-23(20,4)5/h10-15H,3,8-9,16H2,1-2,4-7H3/q+1
InChIKeyACILZWJANNNVCA-UHFFFAOYSA-N
XLogP6.14
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium with MolForge

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Related Compounds

2-butyl-7,7-diethyl-6-methylidenebenzo[a]quinolizin-5-ium
CID 123556563
7,7-diethyl-6-methylidene-10-[4-(6-phenyl-2-pyridinyl)triazol-1-yl]benzo[a]quinolizin-5-ium
CID 123163388
19,19-diethyl-5,5,7,11,11-pentamethyl-20-methylidene-7-pentyl-18-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene
CID 123682897
2-butan-2-yl-7,7-diethyl-6-methylidenebenzo[a]quinolizin-5-ium
CID 123670434
1,17,26-trimethyl-2-methylidene-27-phenyl-3,29-diazoniahexacyclo[15.12.0.03,8.09,14.018,23.024,29]nonacosa-3,5,7,9,11,13,18,20,22,24(29),25,27-dodecaene
CID 170052308
6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine
CID 154982044
3-[3-[1,4-diethyl-3-[2-(2-methylphenyl)pyridin-1-ium-1-yl]cyclobut-2-en-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline
CID 123929728
3-butyl-9,9-diethyl-8-methylideneisoquinolino[1,2-a]isoquinolin-7-ium
CID 123306134
6-(6-hydroxy-1,1,3,3-tetramethyl-2H-inden-5-yl)-1,1,3,3-tetramethyl-2H-inden-5-ol
CID 70523762
10,10-diethyl-14,14,16,16-tetramethyl-11-azoniatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,8,12,17-heptaene
CID 123891970
9-ethyl-9-propylfluorene
CID 123584741
6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
CID 123834920

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium?
The IUPAC name of 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium (CID 123607172) is 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium.
What is the SMILES notation for 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium?
The canonical SMILES for 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium is C=C1[n+]2ccccc2-c2cc3c(cc2C1(CC)CC)C(C)(C)CC3(C)C.
What is the InChIKey of 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium?
The InChIKey is ACILZWJANNNVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N/c1-8-25(9-2)17(3)26-13-11-10-12-22(26)18-14-20-21(15-19(18)25)24(6,7)16-23(20,4)5/h10-15H,3,8-9,16H2,1-2,4-7H3/q+1.
What are the key properties of 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium?
7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium has a molecular weight of 346.54 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-9,9,11,11-tetramethyl-6-methylidene-10H-indeno[5,6-a]quinolizin-5-ium is sourced from PubChem (CID 123607172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).