6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium

C32H36N+ — CID 123357561

IUPAC6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium
SMILESC=C1C2=C(c3cccc[n+]3C1(CC)CC)C(C)(C)c1cc(-c3ccc(CCC)cc3)ccc12
InChIInChI=1S/C32H36N/c1-7-12-23-14-16-24(17-15-23)25-18-19-26-27(21-25)31(5,6)30-28-13-10-11-20-33(28)32(8-2,9-3)22(4)29(26)30/h10-11,13-21H,4,7-9,12H2,1-3,5-6H3/q+1
InChIKeyTYNPOQKQUOFBLE-UHFFFAOYSA-N
MW434.65 g/mol
LogP7.88
Rot. Bonds5

About 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium

6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium (PubChem CID 123357561) has the molecular formula C32H36N+ and a molecular weight of 434.65 g/mol. Its IUPAC name is 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium.

Molecular Properties

Compound Name6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium
PubChem CID123357561
Molecular FormulaC32H36N+
Molecular Weight434.65 g/mol
Exact Mass434.28
IUPAC Name6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium
SMILESC=C1C2=C(c3cccc[n+]3C1(CC)CC)C(C)(C)c1cc(-c3ccc(CCC)cc3)ccc12
InChIInChI=1S/C32H36N/c1-7-12-23-14-16-24(17-15-23)25-18-19-26-27(21-25)31(5,6)30-28-13-10-11-20-33(28)32(8-2,9-3)22(4)29(26)30/h10-11,13-21H,4,7-9,12H2,1-3,5-6H3/q+1
InChIKeyTYNPOQKQUOFBLE-UHFFFAOYSA-N
XLogP7.88
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.65
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
10-[3-(3,5-diphenylphenyl)phenyl]-6,6-diethyl-7-methylidenebenzo[a]quinolizin-5-ium
CID 123442926
17-(6,6-diethyl-7-methylidenebenzo[a]quinolizin-5-ium-10-yl)-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 123439269
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline
CID 58876409
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
9-[7-[9,9-dimethyl-7-[10-[4-(4-propylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-10-[10-(4-propylcyclohexyl)anthracen-9-yl]anthracene
CID 20822040
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium?
The IUPAC name of 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium (CID 123357561) is 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium.
What is the SMILES notation for 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium?
The canonical SMILES for 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium is C=C1C2=C(c3cccc[n+]3C1(CC)CC)C(C)(C)c1cc(-c3ccc(CCC)cc3)ccc12.
What is the InChIKey of 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium?
The InChIKey is TYNPOQKQUOFBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N/c1-7-12-23-14-16-24(17-15-23)25-18-19-26-27(21-25)31(5,6)30-28-13-10-11-20-33(28)32(8-2,9-3)22(4)29(26)30/h10-11,13-21H,4,7-9,12H2,1-3,5-6H3/q+1.
What are the key properties of 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium?
6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium has a molecular weight of 434.65 g/mol, XLogP of 7.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-12,12-dimethyl-7-methylidene-10-(4-propylphenyl)indeno[2,1-a]quinolizin-5-ium is sourced from PubChem (CID 123357561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).