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bis(1-{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-yl}piperidine)

bis(1-{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-yl}piperidine)

CAS: 636559-55-2

Formula: C50H44N2O4P2

SMILES: C1CCN(CC1)P1OC2=C(C3=CC=CC=C3C=C2)C2=C(O1)C=CC1=CC=CC=C21.C1CCN(CC1)P1OC2=C(C3=CC=CC=C3C=C2)C2=C(O1)C=CC1=CC=CC=C21

IUPAC: bis(1-{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-yl}piperidine)

InChI: InChI=1S/2C25H22NO2P/c2*1-6-16-26(17-7-1)29-27-22-14-12-18-8-2-4-10-20(18)24(22)25-21-11-5-3-9-19(21)13-15-23(25)28-29/h2*2-5,8-15H,1,6-7,16-17H2

Composition: C (75.18%), H (5.55%), N (3.51%), O (8.01%), P (7.75%)

Molar Mass: 798.86

Atom Count: 102

Heavy Atom Count: 58

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 0
Exact Mass 798.277631901
Formal Charge 0
FSP3 0.2
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DWHACPKVQXFZKD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 118.5
Topological Polar Surface Area 21.7
Polarizability 49.84
Ring Count 12
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 636559-55-2 $29.00-$166.45$29.00$56.75$166.45
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