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

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: 284472-79-3

Formula: C25H22NO2P

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

IUPAC: 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/C25H22NO2P/c1-6-16-26(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/h2-5,8-15H,1,6-7,16-17H2

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

Molar Mass: 399.43

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	399.13881595
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZYDGLCZCEANEHK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.5
Topological Polar Surface Area	21.7
Polarizability	49.84
Ring Count	6
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<5 Days	284472-79-3		$29.00-$592.67$29.00$56.75$166.45$592.67