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N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

CAS: 209482-28-0

Formula: C36H30NO2P

SMILES: CC(N(C(C)C1=CC=CC=C1)P1OC2=C(C3=CC=CC=C3C=C2)C2=C(O1)C=CC1=CC=CC=C21)C1=CC=CC=C1

IUPAC: N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

InChI: InChI=1/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3

Composition: C (80.13%), H (5.60%), N (2.60%), O (5.93%), P (5.74%)

Molar Mass: 539.615

Atom Count: 70

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 2
Exact Mass 539.201416208
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LKZPDRCMCSBQFN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 164.42
Topological Polar Surface Area 21.7
Polarizability 68.04
Ring Count 7
Rotatable Bond Count 5

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