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2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol

CAS: 2725-22-6

Formula: C33H39N3O2

SMILES: CCCCCCCCOC1=CC(O)=C(C=C1)C1=NC(=NC(=N1)C1=C(C)C=C(C)C=C1)C1=C(C)C=C(C)C=C1

IUPAC: 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol

InChI: InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3

Composition: C (77.76%), H (7.71%), N (8.24%), O (6.28%)

Molar Mass: 509.694

Atom Count: 77

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 509.304227508
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ZSSVCEUEVMALRD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 189.64
Topological Polar Surface Area 68.13
Polarizability 61.66
Ring Count 4
Rotatable Bond Count 11

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