(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium

C22H34NPS+2 — CID 123821546

IUPAC(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium
SMILESCCCC1(C)c2cc([P+](C)(C)C)sc2-c2cccc[n+]2C1(CC)CC
InChIInChI=1S/C22H34NPS/c1-8-14-21(4)17-16-19(24(5,6)7)25-20(17)18-13-11-12-15-23(18)22(21,9-2)10-3/h11-13,15-16H,8-10,14H2,1-7H3/q+2
InChIKeyFVSQCEAGJJTSRU-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.82
Rot. Bonds5

About (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium

(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium (PubChem CID 123821546) has the molecular formula C22H34NPS+2 and a molecular weight of 375.56 g/mol. Its IUPAC name is (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium.

Molecular Properties

Compound Name(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium
PubChem CID123821546
Molecular FormulaC22H34NPS+2
Molecular Weight375.56 g/mol
Exact Mass375.21
IUPAC Name(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium
SMILESCCCC1(C)c2cc([P+](C)(C)C)sc2-c2cccc[n+]2C1(CC)CC
InChIInChI=1S/C22H34NPS/c1-8-14-21(4)17-16-19(24(5,6)7)25-20(17)18-13-11-12-15-23(18)22(21,9-2)10-3/h11-13,15-16H,8-10,14H2,1-7H3/q+2
InChIKeyFVSQCEAGJJTSRU-UHFFFAOYSA-N
XLogP5.82
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
CID 123837266
6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
CID 123834920
6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053
6,6,7-triethyl-7-methyl-10-(2-methyl-5-pentylphenyl)benzo[a]quinolizin-5-ium
CID 123365931
2-butyl-6,6,7-triethyl-7,12,12-trimethylindeno[2,1-a]quinolizin-5-ium
CID 123514326
10-(2-butylcarbazol-9-yl)-6,6,7-triethyl-7-methylbenzo[a]quinolizin-5-ium
CID 123842391
7-ethyl-9,11-difluoro-7-methyl-6-[3-[2-(1-methyltetrazol-5-yl)pyridin-1-ium-1-yl]propyl]-6-propylbenzo[a]quinolizin-5-ium
CID 123923762
10-[3-[3-(5-butyl-3-pyridinyl)-5-pyridin-3-ylphenyl]phenyl]-6,7-diethyl-7-methyl-6-propylbenzo[a]quinolizin-5-ium
CID 123667283
12,12-bis(2,2-dimethylpropyl)-6,7-diethyl-6,7-dimethylindeno[2,1-a]quinolizin-5-ium
CID 123584089
6,6-diethyl-10'-methoxy-9'-methylspiro[benzo[a]quinolizin-5-ium-7,6'-pyrido[2,1-a]isoindol-5-ium]
CID 175628539
6-[2-[9-(1-benzothiophen-3-yl)-6H-pyrido[2,1-a]isoindol-5-ium-6-yl]ethyl]-10-butyl-6,7-diethyl-7-methylbenzo[a]quinolizin-5-ium
CID 123372235
5-butyl-N-naphthalen-1-yl-N-[4-[1-(4,5,5-triethyl-4-methylthieno[3,2-a]quinolizin-6-ium-2-yl)-4,5-dihydrotriazol-4-yl]phenyl]naphthalen-1-amine
CID 123706998

Frequently Asked Questions

What is the IUPAC name of (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium?
The IUPAC name of (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium (CID 123821546) is (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium.
What is the SMILES notation for (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium?
The canonical SMILES for (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium is CCCC1(C)c2cc([P+](C)(C)C)sc2-c2cccc[n+]2C1(CC)CC.
What is the InChIKey of (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium?
The InChIKey is FVSQCEAGJJTSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34NPS/c1-8-14-21(4)17-16-19(24(5,6)7)25-20(17)18-13-11-12-15-23(18)22(21,9-2)10-3/h11-13,15-16H,8-10,14H2,1-7H3/q+2.
What are the key properties of (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium?
(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium has a molecular weight of 375.56 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium is sourced from PubChem (CID 123821546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).