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tetraphenylbut-2-yne-1,4-diol

tetraphenylbut-2-yne-1,4-diol

CAS: 1483-74-5

Formula: C28H22O2

SMILES: OC(C#CC(O)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: tetraphenylbut-2-yne-1,4-diol

InChI: InChI=1S/C28H22O2/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-30H

Composition: C (86.13%), H (5.68%), O (8.19%)

Molar Mass: 390.482

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 390.161979948
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CPXHDGJIYPGMMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 121.09
Topological Polar Surface Area 40.46
Polarizability 46.68
Ring Count 4
Rotatable Bond Count 6

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