2,3,6,7,10,11-hexakis(hexyloxy)triphenylene

2,3,6,7,10,11-hexakis(hexyloxy)triphenylene

CAS: 70351-86-9

Formula: C54H84O6

SMILES: CCCCCCOC1=CC2=C(C=C1OCCCCCC)C1=C(C=C(OCCCCCC)C(OCCCCCC)=C1)C1=C2C=C(OCCCCCC)C(OCCCCCC)=C1

IUPAC: 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene

InChI: InChI=1S/C54H84O6/c1-7-13-19-25-31-55-49-37-43-44(38-50(49)56-32-26-20-14-8-2)46-40-52(58-34-28-22-16-10-4)54(60-36-30-24-18-12-6)42-48(46)47-41-53(59-35-29-23-17-11-5)51(39-45(43)47)57-33-27-21-15-9-3/h37-42H,7-36H2,1-6H3

Composition: C (78.21%), H (10.21%), O (11.58%)

Molar Mass: 829.26

Atom Count: 144

Heavy Atom Count: 60

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	828.626790425
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	SQYCPYUKCAKHRN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	252.64
Topological Polar Surface Area	55.38
Polarizability	103.4
Ring Count	4
Rotatable Bond Count	36

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