4-[3,6,8-tris(4-hydroxyphenyl)pyren-1-yl]phenol

4-[3,6,8-tris(4-hydroxyphenyl)pyren-1-yl]phenol

CAS: 835878-20-1

Formula: C40H26O4

SMILES: OC1=CC=C(C=C1)C1=CC(C2=CC=C(O)C=C2)=C2C=CC3=C4C(C=CC1=C24)=C(C=C3C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

IUPAC: 4-[3,6,8-tris(4-hydroxyphenyl)pyren-1-yl]phenol

InChI: InChI=1S/C40H26O4/c41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h1-22,41-44H

Composition: C (84.19%), H (4.59%), O (11.21%)

Molar Mass: 570.644

Atom Count: 70

Heavy Atom Count: 44

Properties

Properties

Common Names	N/A
Aromatic Ring Count	8
Asymmetric Atom Count	0
Exact Mass	570.183109317
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	QUTBOLCVZGYEJF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	175.19
Topological Polar Surface Area	80.92
Polarizability	76.37
Ring Count	8
Rotatable Bond Count	4

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