1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))

C222H245Fe2N2O6P9 — CID 162274458

About 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))

1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)) (PubChem CID 162274458) has the molecular formula C222H245Fe2N2O6P9 and a molecular weight of 3427.87 g/mol. Its IUPAC name is 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)).

Molecular Properties

• Compound Name: 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))
• PubChem CID: 162274458
• Molecular Formula: C222H245Fe2N2O6P9
• Molecular Weight: 3427.87 g/mol
• Exact Mass: 3425.53
• IUPAC Name: 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))
• SMILES: C1CCCC1.C1CCCC1.CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C.Cc1cc(C)cc(C(c2cc(C)cc(C)c2)c2ccccc2C2CCCC2C(C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C(C)C2CCCC2P(c2ccco2)c2ccco2)c1.Cc1cccc(C)c1-c1c(C)cccc1C.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].c1ccc(P(OC2CCCC23CCCC3OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)cc1
• InChI: InChI=1S/C46H53P.C42H38N2O2P2.C40H34P2.C33H34O2P2.C31H36O2P2.C16H18.2C5H10.4CH3.2Fe/c1-29-17-30(2)22-38(21-29)46(39-23-31(3)18-32(4)24-39)45-14-11-10-13-44(45)43-16-12-15-42(43)37(9)47(40-25-33(5)19-34(6)26-40)41-27-35(7)20-36(8)28-41;1-43-27-29-45-41-35(43)23-25-37(47(31-15-7-3-8-16-31)32-17-9-4-10-18-32)39(41)40-38(26-24-36-42(40)46-30-28-44(36)2)48(33-19-11-5-12-20-33)34-21-13-6-14-22-34;1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-5-15-27(16-6-1)36(28-17-7-2-8-18-28)34-31-23-13-25-33(31)26-14-24-32(33)35-37(29-19-9-3-10-20-29)30-21-11-4-12-22-30;1-21-15-22(2)18-26(17-21)34(27-19-23(3)16-24(4)20-27)25(5)28-9-6-10-29(28)35(30-11-7-13-32-30)31-12-8-14-33-31;1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4;2*1-2-4-5-3-1;;;;;;/h10-11,13-14,17-28,37,42-43,46H,12,15-16H2,1-9H3;3-26H,27-30H2,1-2H3;1-22,25-26,29-30H,23-24,27-28H2;1-12,15-22,31-32H,13-14,23-26H2;7-8,11-20,25,28-29H,6,9-10H2,1-5H3;5-10H,1-4H3;2*1-5H2;4*1H3;;/q;;;;;;;;4*-1;2*+2
• InChIKey: QQWAQWZBGFEBNX-UHFFFAOYSA-N
• XLogP: 50.07
• TPSA: 69.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 37
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3427.87
LogP ≤ 5	50.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))?

The IUPAC name of 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)) (CID 162274458) is 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)).

What is the SMILES notation for 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))?

The canonical SMILES for 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)) is C1CCCC1.C1CCCC1.CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C.Cc1cc(C)cc(C(c2cc(C)cc(C)c2)c2ccccc2C2CCCC2C(C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C(C)C2CCCC2P(c2ccco2)c2ccco2)c1.Cc1cccc(C)c1-c1c(C)cccc1C.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].c1ccc(P(OC2CCCC23CCCC3OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)cc1.

What is the InChIKey of 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))?

The InChIKey is QQWAQWZBGFEBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53P.C42H38N2O2P2.C40H34P2.C33H34O2P2.C31H36O2P2.C16H18.2C5H10.4CH3.2Fe/c1-29-17-30(2)22-38(21-29)46(39-23-31(3)18-32(4)24-39)45-14-11-10-13-44(45)43-16-12-15-42(43)37(9)47(40-25-33(5)19-34(6)26-40)41-27-35(7)20-36(8)28-41;1-43-27-29-45-41-35(43)23-25-37(47(31-15-7-3-8-16-31)32-17-9-4-10-18-32)39(41)40-38(26-24-36-42(40)46-30-28-44(36)2)48(33-19-11-5-12-20-33)34-21-13-6-14-22-34;1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-5-15-27(16-6-1)36(28-17-7-2-8-18-28)34-31-23-13-25-33(31)26-14-24-32(33)35-37(29-19-9-3-10-20-29)30-21-11-4-12-22-30;1-21-15-22(2)18-26(17-21)34(27-19-23(3)16-24(4)20-27)25(5)28-9-6-10-29(28)35(30-11-7-13-32-30)31-12-8-14-33-31;1-11-7-5-8-12(2)15(11)16-13(3)9-6-10-14(16)4;2*1-2-4-5-3-1;;;;;;/h10-11,13-14,17-28,37,42-43,46H,12,15-16H2,1-9H3;3-26H,27-30H2,1-2H3;1-22,25-26,29-30H,23-24,27-28H2;1-12,15-22,31-32H,13-14,23-26H2;7-8,11-20,25,28-29H,6,9-10H2,1-5H3;5-10H,1-4H3;2*1-5H2;4*1H3;;/q;;;;;;;;4*-1;2*+2.

What are the key properties of 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+))?

1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)) has a molecular weight of 3427.87 g/mol, XLogP of 50.07, 37 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[bis(3,5-dimethylphenyl)methyl]phenyl]cyclopentyl]ethyl-bis(3,5-dimethylphenyl)phosphane;[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(furan-2-yl)phosphane;carbanide;bis(cyclopentane);2-(2,6-dimethylphenyl)-1,3-dimethylbenzene;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;(4-diphenylphosphanyloxyspiro[4.4]nonan-9-yl)oxy-diphenylphosphane;(11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-diphenylphosphane;bis(iron(2+)) is sourced from PubChem (CID 162274458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).