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2-(diphenylphosphanyl)-N-[(15R,16R)-16-[2-(diphenylphosphanyl)benzamido]tetracyclo[6.6.2.0²,?.0?,¹?]hexadeca-2,4,6,9(14),10,12-hexaen-15-yl]benzamide

2-(diphenylphosphanyl)-N-[(15R,16R)-16-[2-(diphenylphosphanyl)benzamido]tetracyclo[6.6.2.0²,?.0?,¹?]hexadeca-2,4,6,9(14),10,12-hexaen-15-yl]benzamide

CAS: 152140-65-3

Formula: C54H42N2O2P2

SMILES: O=C(N[C@H]1[C@H](NC(=O)C2=CC=CC=C2P(C2=CC=CC=C2)C2=CC=CC=C2)C2C3=CC=CC=C3C1C1=C2C=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2-(diphenylphosphanyl)-N-[(15R,16R)-16-[2-(diphenylphosphanyl)benzamido]tetracyclo[6.6.2.0²,?.0?,¹?]hexadeca-2,4,6,9(14),10,12-hexaen-15-yl]benzamide

InChI: InChI=1S/C54H42N2O2P2/c57-53(45-33-17-19-35-47(45)59(37-21-5-1-6-22-37)38-23-7-2-8-24-38)55-51-49-41-29-13-15-31-43(41)50(44-32-16-14-30-42(44)49)52(51)56-54(58)46-34-18-20-36-48(46)60(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-36,49-52H,(H,55,57)(H,56,58)

Composition: C (79.79%), H (5.21%), N (3.45%), O (3.94%), P (7.62%)

Molar Mass: 812.89

Atom Count: 102

Heavy Atom Count: 60

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 2
Exact Mass 812.272152596
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BEKZNCOFLFMFHP-VSTSRGMYSA-N
Lipinski's Rule of Five
Molar Refractivity 244.32
Topological Polar Surface Area 58.2
Polarizability 94.59
Ring Count 10
Rotatable Bond Count 10

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