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9-acetyl-14-[4-(diethylamino)phenyl]-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

9-acetyl-14-[4-(diethylamino)phenyl]-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C31H33N3O2

SMILES: CCN(CC)C1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=CC=CC=C1)C(C)=O

IUPAC: 9-acetyl-14-[4-(diethylamino)phenyl]-10-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C31H33N3O2/c1-4-33(5-2)25-17-15-22(16-18-25)24-19-27-30(29(36)20-24)31(23-11-7-6-8-12-23)34(21(3)35)28-14-10-9-13-26(28)32-27/h6-18,24,31-32H,4-5,19-20H2,1-3H3

Composition: C (77.63%), H (6.94%), N (8.76%), O (6.67%)

Molar Mass: 479.624

Atom Count: 69

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 479.257277315
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KSXUUEVWOWFWOE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 148.08
Topological Polar Surface Area 52.65
Polarizability 55.32
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C31H33N3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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