2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium

C27H26N+ — CID 158838636

IUPAC2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
SMILESCc1cc(-c2ccccc2)ccc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3
InChIInChI=1S/C27H26N/c1-18-14-23(20-8-5-4-6-9-20)12-13-25(18)27-26-17-22-11-7-10-21(22)16-24(26)15-19(2)28(27)3/h4-6,8-9,12-17H,7,10-11H2,1-3H3/q+1
InChIKeyXWDWNQZMJQPANB-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.10
Rot. Bonds2

About 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium

2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium (PubChem CID 158838636) has the molecular formula C27H26N+ and a molecular weight of 364.51 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
PubChem CID158838636
Molecular FormulaC27H26N+
Molecular Weight364.51 g/mol
Exact Mass364.21
IUPAC Name2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
SMILESCc1cc(-c2ccccc2)ccc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3
InChIInChI=1S/C27H26N/c1-18-14-23(20-8-5-4-6-9-20)12-13-25(18)27-26-17-22-11-7-10-21(22)16-24(26)15-19(2)28(27)3/h4-6,8-9,12-17H,7,10-11H2,1-3H3/q+1
InChIKeyXWDWNQZMJQPANB-UHFFFAOYSA-N
XLogP6.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium with MolForge

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Related Compounds

4-deuterio-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 159204973
1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 158838637
6-cyclopentyl-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)isoquinolin-2-ium
CID 158215848
4-deuterio-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 159204975
1-(5-cyclopentyl-2,3-dimethylphenyl)-4-deuterio-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;4-deuterio-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;4-deuterio-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;4-deuterio-1-(2,3-dimethyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;4-deuterio-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 159204972
1-(5-tert-butyl-2,3-dimethylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 158455772
1-(5-cyclohexyl-2-methylphenyl)-2,3-dimethyl-6-phenylisoquinolin-2-ium
CID 158880356
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
1-(2,3-dimethyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylisoquinolin-2-ium
CID 158409406
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylisoquinolin-2-ium
CID 158409404

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium?
The IUPAC name of 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium (CID 158838636) is 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium.
What is the SMILES notation for 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium?
The canonical SMILES for 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium is Cc1cc(-c2ccccc2)ccc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3.
What is the InChIKey of 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium?
The InChIKey is XWDWNQZMJQPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N/c1-18-14-23(20-8-5-4-6-9-20)12-13-25(18)27-26-17-22-11-7-10-21(22)16-24(26)15-19(2)28(27)3/h4-6,8-9,12-17H,7,10-11H2,1-3H3/q+1.
What are the key properties of 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium?
2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium has a molecular weight of 364.51 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium is sourced from PubChem (CID 158838636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).