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{14-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.2?,?]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl}bis(4-methoxyphenyl)phosphane

{14-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.2?,?]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl}bis(4-methoxyphenyl)phosphane

CAS: 364732-86-5

Formula: C44H42O4P2

SMILES: COC1=CC=C(C=C1)P(C1=CC=C(OC)C=C1)C1=CC2=CC=C1CCC1=CC=C(CC2)C(=C1)P(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1

IUPAC: {14-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.2?,?]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl}bis(4-methoxyphenyl)phosphane

InChI: InChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3

Composition: C (75.85%), H (6.08%), O (9.18%), P (8.89%)

Molar Mass: 696.764

Atom Count: 92

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 696.255833828
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JALREJYREHTOKW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 205.66
Topological Polar Surface Area 36.92
Polarizability 80.16
Ring Count 7
Rotatable Bond Count 10

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