1-chloro-9,10-bis(2-phenylethynyl)anthracene

1-chloro-9,10-bis(2-phenylethynyl)anthracene

CAS: 41105-35-5

Formula: C30H17Cl

SMILES: ClC1=CC=CC2=C(C#CC3=CC=CC=C3)C3=CC=CC=C3C(C#CC3=CC=CC=C3)=C12

IUPAC: 1-chloro-9,10-bis(2-phenylethynyl)anthracene

InChI: InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H

Composition: C (87.26%), H (4.15%), Cl (8.59%)

Molar Mass: 412.92

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	412.1018782
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	IMMCAKJISYGPDQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	119.44
Topological Polar Surface Area	0
Polarizability	51.83
Ring Count	5
Rotatable Bond Count	4

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