bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane

C226H241FFe4O5P12 — CID 162274438

IUPACbis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane
SMILESC1CCCC1.C1CCCC1.CC(C)C1CCCC1P(c1ccccc1)c1ccccc1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CC1CCCC1.CC1CCCC1.CO[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1.Cc1ccccc1C1(C)OCCO1.[2H]P(F)P.[Fe].[Fe].[Fe].[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H32P2.C39H32OP2.C36H28OP2.C20H25OP.C20H25P.2C17H19P.C11H14O2.2C6H12.2C5H10.FH3P2.4Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-16(2)19-14-9-15-20(19)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-5-3-4-6-10(9)11(2)12-7-8-13-11;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-3-2;;;;/h1-32H;3-28H,1-2H3;1-28H;3-8,10-13,16,19-20H,9,14-15H2,1-2H3;3-8,10-13,16,19-20H,9,14-15H2,1-2H3;2*1-6,9-12,17H,7-8,13-14H2;3-6H,7-8H2,1-2H3;2*6H,2-5H2,1H3;2*1-5H2;3H,2H2;;;;/t;;;16-,19?,20?;;;;;;;;;;;;;/m...0............./s1/i;;;;;;;;;;;;3D;;;;
InChIKeyWJXZRHYLDQLZTD-MCHNCROYSA-N
MW3652.48 g/mol
LogP53.04
Rot. Bonds37

About bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane

bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane (PubChem CID 162274438) has the molecular formula C226H241FFe4O5P12 and a molecular weight of 3652.48 g/mol. Its IUPAC name is bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Namebis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane
PubChem CID162274438
Molecular FormulaC226H241FFe4O5P12
Molecular Weight3652.48 g/mol
Exact Mass3650.29
IUPAC Namebis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane
SMILESC1CCCC1.C1CCCC1.CC(C)C1CCCC1P(c1ccccc1)c1ccccc1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CC1CCCC1.CC1CCCC1.CO[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1.Cc1ccccc1C1(C)OCCO1.[2H]P(F)P.[Fe].[Fe].[Fe].[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H32P2.C39H32OP2.C36H28OP2.C20H25OP.C20H25P.2C17H19P.C11H14O2.2C6H12.2C5H10.FH3P2.4Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-16(2)19-14-9-15-20(19)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-5-3-4-6-10(9)11(2)12-7-8-13-11;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-3-2;;;;/h1-32H;3-28H,1-2H3;1-28H;3-8,10-13,16,19-20H,9,14-15H2,1-2H3;3-8,10-13,16,19-20H,9,14-15H2,1-2H3;2*1-6,9-12,17H,7-8,13-14H2;3-6H,7-8H2,1-2H3;2*6H,2-5H2,1H3;2*1-5H2;3H,2H2;;;;/t;;;16-,19?,20?;;;;;;;;;;;;;/m...0............./s1/i;;;;;;;;;;;;3D;;;;
InChIKeyWJXZRHYLDQLZTD-MCHNCROYSA-N
XLogP53.04
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds37
Heavy Atoms248
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003652.48
LogP ≤ 553.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane?
The IUPAC name of bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane (CID 162274438) is bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane?
The canonical SMILES for bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane is C1CCCC1.C1CCCC1.CC(C)C1CCCC1P(c1ccccc1)c1ccccc1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CC1CCCC1.CC1CCCC1.CO[C@@H](C)C1CCCC1P(c1ccccc1)c1ccccc1.Cc1ccccc1C1(C)OCCO1.[2H]P(F)P.[Fe].[Fe].[Fe].[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane?
The InChIKey is WJXZRHYLDQLZTD-MCHNCROYSA-N. The full InChI is InChI=1S/C44H32P2.C39H32OP2.C36H28OP2.C20H25OP.C20H25P.2C17H19P.C11H14O2.2C6H12.2C5H10.FH3P2.4Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-16(2)19-14-9-15-20(19)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9-5-3-4-6-10(9)11(2)12-7-8-13-11;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-3-2;;;;/h1-32H;3-28H,1-2H3;1-28H;3-8,10-13,16,19-20H,9,14-15H2,1-2H3;3-8,10-13,16,19-20H,9,14-15H2,1-2H3;2*1-6,9-12,17H,7-8,13-14H2;3-6H,7-8H2,1-2H3;2*6H,2-5H2,1H3;2*1-5H2;3H,2H2;;;;/t;;;16-,19?,20?;;;;;;;;;;;;;/m...0............./s1/i;;;;;;;;;;;;3D;;;;.
What are the key properties of bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane?
bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane has a molecular weight of 3652.48 g/mol, XLogP of 53.04, 37 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);bis(cyclopentyl(diphenyl)phosphane);deuterio-fluoro-phosphanylphosphane;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane;iron;[2-[(1S)-1-methoxyethyl]cyclopentyl]-diphenylphosphane;bis(methylcyclopentane);2-methyl-2-(2-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 162274438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).