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3'-(diethylamino)-7'-(phenylamino)spiro[2-benzofuran-1,9'-xanthen]-3-one

3'-(diethylamino)-7'-(phenylamino)spiro[2-benzofuran-1,9'-xanthen]-3-one

CAS: 29512-46-7

Formula: C30H26N2O3

SMILES: CCN(CC)C1=CC=C2C(OC3=C(C=C(NC4=CC=CC=C4)C=C3)C22OC(=O)C3=C2C=CC=C3)=C1

IUPAC: 3'-(diethylamino)-7'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

InChI: InChI=1/C30H26N2O3/c1-3-32(4-2)22-15-16-25-28(19-22)34-27-17-14-21(31-20-10-6-5-7-11-20)18-26(27)30(25)24-13-9-8-12-23(24)29(33)35-30/h5-19,31H,3-4H2,1-2H3

Composition: C (77.90%), H (5.67%), N (6.06%), O (10.38%)

Molar Mass: 462.549

Atom Count: 61

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 462.194342705
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SVTBGPICDZDBFU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 139.67
Topological Polar Surface Area 50.8
Polarizability 52.44
Ring Count 6
Rotatable Bond Count 5

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