[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron

C80H116Fe2O2P4 — CID 162302557

IUPAC[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron
SMILESC1CCCC1.C1CCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)C2CCCC2P(c2ccccc2OC(C)C)c2ccccc2OC(C)C)c1.Cc1ccccc1P(c1ccccc1C)[C@@H](C)C1CCCC1P(C(C)(C)C)C(C)(C)C.[Fe].[Fe]
InChIInChI=1S/C41H52O2P2.C29H44P2.2C5H10.2Fe/c1-27(2)42-37-16-10-12-18-40(37)45(41-19-13-11-17-38(41)43-28(3)4)39-20-14-15-36(39)33(9)44(34-23-29(5)21-30(6)24-34)35-25-31(7)22-32(8)26-35;1-21-15-10-12-18-25(21)30(26-19-13-11-16-22(26)2)23(3)24-17-14-20-27(24)31(28(4,5)6)29(7,8)9;2*1-2-4-5-3-1;;/h10-13,16-19,21-28,33,36,39H,14-15,20H2,1-9H3;10-13,15-16,18-19,23-24,27H,14,17,20H2,1-9H3;2*1-5H2;;/t33-,36?,39?;23-,24?,27?;;;;/m10..../s1
InChIKeyGUGKANNQUMIQKW-MLXWAABRSA-N
MW1345.39 g/mol
LogP21.89
Rot. Bonds16

About [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron

[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron (PubChem CID 162302557) has the molecular formula C80H116Fe2O2P4 and a molecular weight of 1345.39 g/mol. Its IUPAC name is [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron.

Molecular Properties

Compound Name[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron
PubChem CID162302557
Molecular FormulaC80H116Fe2O2P4
Molecular Weight1345.39 g/mol
Exact Mass1344.66
IUPAC Name[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron
SMILESC1CCCC1.C1CCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)C2CCCC2P(c2ccccc2OC(C)C)c2ccccc2OC(C)C)c1.Cc1ccccc1P(c1ccccc1C)[C@@H](C)C1CCCC1P(C(C)(C)C)C(C)(C)C.[Fe].[Fe]
InChIInChI=1S/C41H52O2P2.C29H44P2.2C5H10.2Fe/c1-27(2)42-37-16-10-12-18-40(37)45(41-19-13-11-17-38(41)43-28(3)4)39-20-14-15-36(39)33(9)44(34-23-29(5)21-30(6)24-34)35-25-31(7)22-32(8)26-35;1-21-15-10-12-18-25(21)30(26-19-13-11-16-22(26)2)23(3)24-17-14-20-27(24)31(28(4,5)6)29(7,8)9;2*1-2-4-5-3-1;;/h10-13,16-19,21-28,33,36,39H,14-15,20H2,1-9H3;10-13,15-16,18-19,23-24,27H,14,17,20H2,1-9H3;2*1-5H2;;/t33-,36?,39?;23-,24?,27?;;;;/m10..../s1
InChIKeyGUGKANNQUMIQKW-MLXWAABRSA-N
XLogP21.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.39
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron?
The IUPAC name of [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron (CID 162302557) is [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron.
What is the SMILES notation for [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron?
The canonical SMILES for [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron is C1CCCC1.C1CCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)C2CCCC2P(c2ccccc2OC(C)C)c2ccccc2OC(C)C)c1.Cc1ccccc1P(c1ccccc1C)[C@@H](C)C1CCCC1P(C(C)(C)C)C(C)(C)C.[Fe].[Fe].
What is the InChIKey of [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron?
The InChIKey is GUGKANNQUMIQKW-MLXWAABRSA-N. The full InChI is InChI=1S/C41H52O2P2.C29H44P2.2C5H10.2Fe/c1-27(2)42-37-16-10-12-18-40(37)45(41-19-13-11-17-38(41)43-28(3)4)39-20-14-15-36(39)33(9)44(34-23-29(5)21-30(6)24-34)35-25-31(7)22-32(8)26-35;1-21-15-10-12-18-25(21)30(26-19-13-11-16-22(26)2)23(3)24-17-14-20-27(24)31(28(4,5)6)29(7,8)9;2*1-2-4-5-3-1;;/h10-13,16-19,21-28,33,36,39H,14-15,20H2,1-9H3;10-13,15-16,18-19,23-24,27H,14,17,20H2,1-9H3;2*1-5H2;;/t33-,36?,39?;23-,24?,27?;;;;/m10..../s1.
What are the key properties of [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron?
[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron has a molecular weight of 1345.39 g/mol, XLogP of 21.89, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron is sourced from PubChem (CID 162302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).