cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron

C40H54FeP2 — CID 117064299

IUPACcyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
SMILESC1CCCC1.C[C@H](C1CCCC1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C35H44P2.C5H10.Fe/c1-25(37(34(2,3)4)35(5,6)7)28-21-14-24-31(28)36(32-22-12-17-26-15-8-10-19-29(26)32)33-23-13-18-27-16-9-11-20-30(27)33;1-2-4-5-3-1;/h8-13,15-20,22-23,25,28,31H,14,21,24H2,1-7H3;1-5H2;/t25-,28?,31?;;/m1../s1
InChIKeyAJPKSTKGLSJTJW-RBEDJTFYSA-N
MW652.66 g/mol
LogP12.01
Rot. Bonds5

About cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron

cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron (PubChem CID 117064299) has the molecular formula C40H54FeP2 and a molecular weight of 652.66 g/mol. Its IUPAC name is cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron.

Molecular Properties

Compound Namecyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
PubChem CID117064299
Molecular FormulaC40H54FeP2
Molecular Weight652.66 g/mol
Exact Mass652.31
IUPAC Namecyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
SMILESC1CCCC1.C[C@H](C1CCCC1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C35H44P2.C5H10.Fe/c1-25(37(34(2,3)4)35(5,6)7)28-21-14-24-31(28)36(32-22-12-17-26-15-8-10-19-29(26)32)33-23-13-18-27-16-9-11-20-30(27)33;1-2-4-5-3-1;/h8-13,15-20,22-23,25,28,31H,14,21,24H2,1-7H3;1-5H2;/t25-,28?,31?;;/m1../s1
InChIKeyAJPKSTKGLSJTJW-RBEDJTFYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.66
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
CID 162302601
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane
CID 98067314
1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 123791753
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76689541
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
ditert-butyl-[1-[(1R)-2-dicyclohexylphosphanylcyclopentyl]ethyl]phosphane
CID 137018906
ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310349
cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
CID 155884987
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
bis(3,5-dimethylphenyl)-[(2-dinaphthalen-1-ylphosphanylcyclopentyl)methyl]phosphane
CID 123942793

Frequently Asked Questions

What is the IUPAC name of cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron?
The IUPAC name of cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron (CID 117064299) is cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron.
What is the SMILES notation for cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron?
The canonical SMILES for cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron is C1CCCC1.C[C@H](C1CCCC1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C.[Fe].
What is the InChIKey of cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron?
The InChIKey is AJPKSTKGLSJTJW-RBEDJTFYSA-N. The full InChI is InChI=1S/C35H44P2.C5H10.Fe/c1-25(37(34(2,3)4)35(5,6)7)28-21-14-24-31(28)36(32-22-12-17-26-15-8-10-19-29(26)32)33-23-13-18-27-16-9-11-20-30(27)33;1-2-4-5-3-1;/h8-13,15-20,22-23,25,28,31H,14,21,24H2,1-7H3;1-5H2;/t25-,28?,31?;;/m1../s1.
What are the key properties of cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron?
cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron has a molecular weight of 652.66 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron is sourced from PubChem (CID 117064299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).