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3-{11,12-diphenyl-10-oxa-3,5,6,8-tetraazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaen-4-yl}naphthalen-2-ol

3-{11,12-diphenyl-10-oxa-3,5,6,8-tetraazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaen-4-yl}naphthalen-2-ol

Formula: C29H18N4O2

SMILES: OC1=CC2=CC=CC=C2C=C1C1=NN2C=NC3=C(C2=N1)C(=C(O3)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-{11,12-diphenyl-10-oxa-3,5,6,8-tetraazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaen-4-yl}naphthalen-2-ol

InChI: InChI=1S/C29H18N4O2/c34-23-16-21-14-8-7-13-20(21)15-22(23)27-31-28-25-24(18-9-3-1-4-10-18)26(19-11-5-2-6-12-19)35-29(25)30-17-33(28)32-27/h1-17,34H

Composition: C (76.64%), H (3.99%), N (12.33%), O (7.04%)

Molar Mass: 454.489

Atom Count: 53

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 7
Asymmetric Atom Count 0
Exact Mass 454.142975836
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NMOBZDGLDXOVCO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 155.73
Topological Polar Surface Area 76.45
Polarizability 55.76
Ring Count 7
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H18N4O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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