11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium

C22H16N+ — CID 58761336

IUPAC11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
SMILESc1ccc(-c2ccc3c(c2)-c2c4ccccc4cc[n+]2C3)cc1
InChIInChI=1S/C22H16N/c1-2-6-16(7-3-1)18-10-11-19-15-23-13-12-17-8-4-5-9-20(17)22(23)21(19)14-18/h1-14H,15H2/q+1
InChIKeyQQFTVYQEGSPHKV-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.82
Rot. Bonds1

About 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium

11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium (PubChem CID 58761336) has the molecular formula C22H16N+ and a molecular weight of 294.38 g/mol. Its IUPAC name is 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium.

Molecular Properties

Compound Name11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
PubChem CID58761336
Molecular FormulaC22H16N+
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
SMILESc1ccc(-c2ccc3c(c2)-c2c4ccccc4cc[n+]2C3)cc1
InChIInChI=1S/C22H16N/c1-2-6-16(7-3-1)18-10-11-19-15-23-13-12-17-8-4-5-9-20(17)22(23)21(19)14-18/h1-14H,15H2/q+1
InChIKeyQQFTVYQEGSPHKV-UHFFFAOYSA-N
XLogP4.82
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.82
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

11-octyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
CID 58761341
2-(2-methylpropyl)-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143814703
5-(3,5-diphenylphenyl)-14-phenanthren-2-yltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 88556830
8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143096562
9,10,12-trifluoro-8H-isoindolo[1,2-a]isoquinolin-7-ium
CID 58975638
2-oxido-1-phenylisoquinolin-2-ium
CID 613307
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
(3E)-5-phenyl-3-(6-phenyl-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 101427636
trimethyl-(2-naphthalen-1-yl-4-phenylphenyl)germane
CID 167332794
29-(4-methylphenyl)-10-phenyl-25-oxa-2,22,38-triazonianonacyclo[25.10.1.11,8.02,7.013,22.014,19.031,38.032,37.012,39]nonatriaconta-2,4,6,8(39),9,11,13(22),14,16,18,20,27,29,31(38),32,34,36-heptadecaen-26-one
CID 123565528
2-(2-naphthalen-1-yl-4-phenylphenyl)phenol
CID 174712226

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
The IUPAC name of 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium (CID 58761336) is 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium.
What is the SMILES notation for 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
The canonical SMILES for 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium is c1ccc(-c2ccc3c(c2)-c2c4ccccc4cc[n+]2C3)cc1.
What is the InChIKey of 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
The InChIKey is QQFTVYQEGSPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N/c1-2-6-16(7-3-1)18-10-11-19-15-23-13-12-17-8-4-5-9-20(17)22(23)21(19)14-18/h1-14H,15H2/q+1.
What are the key properties of 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium has a molecular weight of 294.38 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium is sourced from PubChem (CID 58761336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).