[2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron

C147H148F10FeO6P8 — CID 162274489

About [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron

[2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron (PubChem CID 162274489) has the molecular formula C147H148F10FeO6P8 and a molecular weight of 2504.41 g/mol. Its IUPAC name is [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron.

Molecular Properties

• Compound Name: [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron
• PubChem CID: 162274489
• Molecular Formula: C147H148F10FeO6P8
• Molecular Weight: 2504.41 g/mol
• Exact Mass: 2502.84
• IUPAC Name: [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron
• SMILES: C1CCCC1.CC(C)(C)[P@]1Cc2ccccc2[C@@H]1[C@H]1c2ccccc2C[P@@]1C(C)(C)C.Cc1cc(P(c2cc(C)cc(C(F)(F)F)c2)[C@H](C)C2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)cc(C(F)(F)F)c1.FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Fe].c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCO3)cc1
• InChI: InChI=1S/C41H50F6P2.C39H32O2P2.C38H24F4O4P2.C24H32P2.C5H10.Fe/c1-27-21-30(40(42,43)44)25-34(23-27)48(35-24-28(2)22-31(26-35)41(45,46)47)29(3)36-18-12-19-37(36)38-17-10-11-20-39(38)49(32-13-6-4-7-14-32)33-15-8-5-9-16-33;1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-13-24-34-38(36)39-35(41-29-15-28-40-34)25-14-27-37(39)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33;39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6;1-2-4-5-3-1;/h10-11,17,20-26,29,32-33,36-37H,4-9,12-16,18-19H2,1-3H3;1-14,16-27H,15,28-29H2;1-24H;7-14,21-22H,15-16H2,1-6H3;1-5H2;/t29-,36?,37?;;;21-,22-,25-,26-;;/m1..1../s1
• InChIKey: HEOHPBGUCZLSMF-WFXASSKHSA-N
• XLogP: 37.07
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2504.41
LogP ≤ 5	37.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron?

The IUPAC name of [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron (CID 162274489) is [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron.

What is the SMILES notation for [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron?

The canonical SMILES for [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron is C1CCCC1.CC(C)(C)[P@]1Cc2ccccc2[C@@H]1[C@H]1c2ccccc2C[P@@]1C(C)(C)C.Cc1cc(P(c2cc(C)cc(C(F)(F)F)c2)[C@H](C)C2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)cc(C(F)(F)F)c1.FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Fe].c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCO3)cc1.

What is the InChIKey of [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron?

The InChIKey is HEOHPBGUCZLSMF-WFXASSKHSA-N. The full InChI is InChI=1S/C41H50F6P2.C39H32O2P2.C38H24F4O4P2.C24H32P2.C5H10.Fe/c1-27-21-30(40(42,43)44)25-34(23-27)48(35-24-28(2)22-31(26-35)41(45,46)47)29(3)36-18-12-19-37(36)38-17-10-11-20-39(38)49(32-13-6-4-7-14-32)33-15-8-5-9-16-33;1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-13-24-34-38(36)39-35(41-29-15-28-40-34)25-14-27-37(39)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33;39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6;1-2-4-5-3-1;/h10-11,17,20-26,29,32-33,36-37H,4-9,12-16,18-19H2,1-3H3;1-14,16-27H,15,28-29H2;1-24H;7-14,21-22H,15-16H2,1-6H3;1-5H2;/t29-,36?,37?;;;21-,22-,25-,26-;;/m1..1../s1.

What are the key properties of [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron?

[2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron has a molecular weight of 2504.41 g/mol, XLogP of 37.07, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron is sourced from PubChem (CID 162274489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).