cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron

C29H36FeNPSi-6 — CID 87635116

IUPACcyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron
SMILESCCN(CC)[c-]1ccc([Si](C)(C)C)c1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C24H31NPSi.C5H5.Fe/c1-6-25(7-2)22-18-19-23(27(3,4)5)24(22)26(20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-2-4-5-3-1;/h8-19H,6-7H2,1-5H3;1-5H;/q-1;-5;
InChIKeyGLUSRTDKEKTCDP-UHFFFAOYSA-N
MW513.52 g/mol
LogP5.96
Rot. Bonds7

About cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron

cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron (PubChem CID 87635116) has the molecular formula C29H36FeNPSi-6 and a molecular weight of 513.52 g/mol. Its IUPAC name is cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron.

Molecular Properties

Compound Namecyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron
PubChem CID87635116
Molecular FormulaC29H36FeNPSi-6
Molecular Weight513.52 g/mol
Exact Mass513.17
IUPAC Namecyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron
SMILESCCN(CC)[c-]1ccc([Si](C)(C)C)c1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C24H31NPSi.C5H5.Fe/c1-6-25(7-2)22-18-19-23(27(3,4)5)24(22)26(20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-2-4-5-3-1;/h8-19H,6-7H2,1-5H3;1-5H;/q-1;-5;
InChIKeyGLUSRTDKEKTCDP-UHFFFAOYSA-N
XLogP5.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron?
The IUPAC name of cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron (CID 87635116) is cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron.
What is the SMILES notation for cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron?
The canonical SMILES for cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron is CCN(CC)[c-]1ccc([Si](C)(C)C)c1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron?
The InChIKey is GLUSRTDKEKTCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NPSi.C5H5.Fe/c1-6-25(7-2)22-18-19-23(27(3,4)5)24(22)26(20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-2-4-5-3-1;/h8-19H,6-7H2,1-5H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron?
cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron has a molecular weight of 513.52 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-diphenylphosphanyl-N,N-diethyl-3-trimethylsilylcyclopenta-2,4-dien-1-amine;iron is sourced from PubChem (CID 87635116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).