[(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane

C43H34F4O2P2 — CID 155148915

IUPAC[(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(c2ccc(F)cc2)c2cccc3c2O[C@@H]2CCC[C@H](C3)Oc3c(cccc3P(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C43H34F4O2P2/c44-30-10-18-36(19-11-30)50(37-20-12-31(45)13-21-37)40-8-1-4-28-26-34-6-3-7-35(48-42(28)40)27-29-5-2-9-41(43(29)49-34)51(38-22-14-32(46)15-23-38)39-24-16-33(47)17-25-39/h1-2,4-5,8-25,34-35H,3,6-7,26-27H2/t34-,35-/m1/s1
InChIKeyUOKVDJNJUUBSJQ-VSJLXWSYSA-N
MW720.68 g/mol
LogP8.24
Rot. Bonds6

About [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane

[(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane (PubChem CID 155148915) has the molecular formula C43H34F4O2P2 and a molecular weight of 720.68 g/mol. Its IUPAC name is [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane.

Molecular Properties

Compound Name[(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane
PubChem CID155148915
Molecular FormulaC43H34F4O2P2
Molecular Weight720.68 g/mol
Exact Mass720.20
IUPAC Name[(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(c2ccc(F)cc2)c2cccc3c2O[C@@H]2CCC[C@H](C3)Oc3c(cccc3P(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C43H34F4O2P2/c44-30-10-18-36(19-11-30)50(37-20-12-31(45)13-21-37)40-8-1-4-28-26-34-6-3-7-35(48-42(28)40)27-29-5-2-9-41(43(29)49-34)51(38-22-14-32(46)15-23-38)39-24-16-33(47)17-25-39/h1-2,4-5,8-25,34-35H,3,6-7,26-27H2/t34-,35-/m1/s1
InChIKeyUOKVDJNJUUBSJQ-VSJLXWSYSA-N
XLogP8.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.68
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane?
The IUPAC name of [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane (CID 155148915) is [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane.
What is the SMILES notation for [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane?
The canonical SMILES for [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane is Fc1ccc(P(c2ccc(F)cc2)c2cccc3c2O[C@@H]2CCC[C@H](C3)Oc3c(cccc3P(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane?
The InChIKey is UOKVDJNJUUBSJQ-VSJLXWSYSA-N. The full InChI is InChI=1S/C43H34F4O2P2/c44-30-10-18-36(19-11-30)50(37-20-12-31(45)13-21-37)40-8-1-4-28-26-34-6-3-7-35(48-42(28)40)27-29-5-2-9-41(43(29)49-34)51(38-22-14-32(46)15-23-38)39-24-16-33(47)17-25-39/h1-2,4-5,8-25,34-35H,3,6-7,26-27H2/t34-,35-/m1/s1.
What are the key properties of [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane?
[(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane has a molecular weight of 720.68 g/mol, XLogP of 8.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,10R)-13-bis(4-fluorophenyl)phosphanyl-2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3(8),4,6,12(17),13,15-hexaen-4-yl]-bis(4-fluorophenyl)phosphane is sourced from PubChem (CID 155148915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).