8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium

C18H14N+ — CID 143096562

IUPAC8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
SMILESc1ccc(-c2ccc3c(c2)C[n+]2ccccc2-3)cc1
InChIInChI=1S/C18H14N/c1-2-6-14(7-3-1)15-9-10-17-16(12-15)13-19-11-5-4-8-18(17)19/h1-12H,13H2/q+1
InChIKeyPZQJXIILNTXRAV-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.67
Rot. Bonds1

About 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium

8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 143096562) has the molecular formula C18H14N+ and a molecular weight of 244.32 g/mol. Its IUPAC name is 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID143096562
Molecular FormulaC18H14N+
Molecular Weight244.32 g/mol
Exact Mass244.11
IUPAC Name8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
SMILESc1ccc(-c2ccc3c(c2)C[n+]2ccccc2-3)cc1
InChIInChI=1S/C18H14N/c1-2-6-14(7-3-1)15-9-10-17-16(12-15)13-19-11-5-4-8-18(17)19/h1-12H,13H2/q+1
InChIKeyPZQJXIILNTXRAV-UHFFFAOYSA-N
XLogP3.67
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.67
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

6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 59087655
10-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 123198158
2-(2-methylpropyl)-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143814703
10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 162209498
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
2,3-dimethyl-6-phenyl-1H-indene
CID 173147949
spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188
ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole
CID 156863063
11-phenyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
CID 58761336
2,3-dimethyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4H-pyrrolo[2,3-a]indolizin-5-ium
CID 152792747
1,2,4-triphenylbenzene
CID 518325
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium (CID 143096562) is 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium is c1ccc(-c2ccc3c(c2)C[n+]2ccccc2-3)cc1.
What is the InChIKey of 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is PZQJXIILNTXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N/c1-2-6-14(7-3-1)15-9-10-17-16(12-15)13-19-11-5-4-8-18(17)19/h1-12H,13H2/q+1.
What are the key properties of 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium?
8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 244.32 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 143096562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).