6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium

C26H30N+ — CID 123413121

IUPAC6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium
SMILESC=CC1(CC)[n+]2cc(C)c(C)cc2-c2c(ccc3ccccc23)C1(C)CC
InChIInChI=1S/C26H30N/c1-7-25(6)22-15-14-20-12-10-11-13-21(20)24(22)23-16-18(4)19(5)17-27(23)26(25,8-2)9-3/h8,10-17H,2,7,9H2,1,3-6H3/q+1
InChIKeyULPAZZURGYGTLU-UHFFFAOYSA-N
MW356.53 g/mol
LogP6.38
Rot. Bonds3

About 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium

6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium (PubChem CID 123413121) has the molecular formula C26H30N+ and a molecular weight of 356.53 g/mol. Its IUPAC name is 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium.

Molecular Properties

Compound Name6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium
PubChem CID123413121
Molecular FormulaC26H30N+
Molecular Weight356.53 g/mol
Exact Mass356.24
IUPAC Name6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium
SMILESC=CC1(CC)[n+]2cc(C)c(C)cc2-c2c(ccc3ccccc23)C1(C)CC
InChIInChI=1S/C26H30N/c1-7-25(6)22-15-14-20-12-10-11-13-21(20)24(22)23-16-18(4)19(5)17-27(23)26(25,8-2)9-3/h8,10-17H,2,7,9H2,1,3-6H3/q+1
InChIKeyULPAZZURGYGTLU-UHFFFAOYSA-N
XLogP6.38
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

11-butyl-6-ethenyl-6,7-diethyl-7-methylanthra[1,2-a]quinolizin-5-ium
CID 91327153
12,13,13-triethyl-12,21-dimethyl-14-azoniapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 123979938
6-ethenyl-5,6-diethyl-3-fluoro-2,5-dimethylisoquinolino[1,2-a]isoquinolin-7-ium
CID 123519733
1,4,5-trimethyl-2-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)pyridin-1-ium
CID 140940563
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
10-ethenyl-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 145353420
2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
CID 59575248
12,12,14,14-tetramethyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11792273
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
1-ethenyl-2-methylphenanthrene
CID 18927842
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,15-trimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479668
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium?
The IUPAC name of 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium (CID 123413121) is 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium.
What is the SMILES notation for 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium?
The canonical SMILES for 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium is C=CC1(CC)[n+]2cc(C)c(C)cc2-c2c(ccc3ccccc23)C1(C)CC.
What is the InChIKey of 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium?
The InChIKey is ULPAZZURGYGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N/c1-7-25(6)22-15-14-20-12-10-11-13-21(20)24(22)23-16-18(4)19(5)17-27(23)26(25,8-2)9-3/h8,10-17H,2,7,9H2,1,3-6H3/q+1.
What are the key properties of 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium?
6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium has a molecular weight of 356.53 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6,7-diethyl-2,3,7-trimethylnaphtho[1,2-a]quinolizin-5-ium is sourced from PubChem (CID 123413121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).