Phenylisoquinoline

C₁₅H₁₁NCAS 3297-72-1205.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₁N
Molar mass: 205.26 g/mol
Exact mass: 205.0891 Da
logP: 3.90Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3297-72-1

SMILES

C1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32

InChIKey

LPCWDYWZIWDTCV-UHFFFAOYSA-N

InChI

InChI=1S/C15H11N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Phenylisoquinoline

Work with Phenylisoquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1(2H)-Isoquinolinone491-30-554 % similar 1-Bromoisoquinoline1532-71-452 % similar 1-Methylisoquinoline1721-93-352 % similar 1-Chloroisoquinoline19493-44-852 % similar 1-Isoquinolinecarbonitrile1198-30-748 % similar 1-Isoquinolinemethanol27311-63-347 % similar 1-Phenylnaphthalene605-02-746 % similar 3-Methyl-2-phenylpyridine10273-90-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Cyanostilbene2510-95-4 2-Phenylquinoline612-96-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook