chempirical

P-Quinquephenyl

C30H22CAS 3073-05-0382.51 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C30H22
Molar mass
382.51 g/mol
Exact mass
382.1722 Da
logP
8.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3073-05-0
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5
InChIKey
OMCUOJTVNIHQTI-UHFFFAOYSA-N
InChI
InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H

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Reactions

Work with P-Quinquephenyl

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

para-Quaterphenyl135-70-6100 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-6100 % similar Terphenyl92-94-4100 % similar Biphenyl92-52-490 % similar Azulene275-51-482 % similar 1,3,5-Triphenylbenzene612-71-569 % similar M-Terphenyl92-06-864 % similar Bis-biphenyl-4-yl-amine102113-98-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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