carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))

C56H102Fe3N2P2 — CID 162295221

IUPACcarbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
SMILESC1CCCC1.C1CCCC1.C[C@H](C1CCCC1[P@@](c1ccccc1)C1CCCC1)N(C)C.C[C@H](C1CCCC1[P@@](c1ccccc1)C1CCCC1)N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/2C20H32NP.2C5H10.6CH3.3Fe/c2*1-16(21(2)3)19-14-9-15-20(19)22(18-12-7-8-13-18)17-10-5-4-6-11-17;2*1-2-4-5-3-1;;;;;;;;;/h2*4-6,10-11,16,18-20H,7-9,12-15H2,1-3H3;2*1-5H2;6*1H3;;;/q;;;;6*-1;3*+2/t2*16-,19?,20?,22+;;;;;;;;;;;/m11.........../s1
InChIKeyYFFFALSBGLHJKK-CWXFNKRGSA-N
MW1032.93 g/mol
LogP16.31
Rot. Bonds10

About carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))

carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)) (PubChem CID 162295221) has the molecular formula C56H102Fe3N2P2 and a molecular weight of 1032.93 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)).

Molecular Properties

Compound Namecarbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
PubChem CID162295221
Molecular FormulaC56H102Fe3N2P2
Molecular Weight1032.93 g/mol
Exact Mass1032.56
IUPAC Namecarbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
SMILESC1CCCC1.C1CCCC1.C[C@H](C1CCCC1[P@@](c1ccccc1)C1CCCC1)N(C)C.C[C@H](C1CCCC1[P@@](c1ccccc1)C1CCCC1)N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/2C20H32NP.2C5H10.6CH3.3Fe/c2*1-16(21(2)3)19-14-9-15-20(19)22(18-12-7-8-13-18)17-10-5-4-6-11-17;2*1-2-4-5-3-1;;;;;;;;;/h2*4-6,10-11,16,18-20H,7-9,12-15H2,1-3H3;2*1-5H2;6*1H3;;;/q;;;;6*-1;3*+2/t2*16-,19?,20?,22+;;;;;;;;;;;/m11.........../s1
InChIKeyYFFFALSBGLHJKK-CWXFNKRGSA-N
XLogP16.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.93
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
bromocyclopentane;tris(cyclopentane);(1R)-1-[2-[cyclopentyl-(4-methoxyphenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine;bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);iron
CID 162267819
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
CID 155887361
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))?
The IUPAC name of carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)) (CID 162295221) is carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)).
What is the SMILES notation for carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))?
The canonical SMILES for carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)) is C1CCCC1.C1CCCC1.C[C@H](C1CCCC1[P@@](c1ccccc1)C1CCCC1)N(C)C.C[C@H](C1CCCC1[P@@](c1ccccc1)C1CCCC1)N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))?
The InChIKey is YFFFALSBGLHJKK-CWXFNKRGSA-N. The full InChI is InChI=1S/2C20H32NP.2C5H10.6CH3.3Fe/c2*1-16(21(2)3)19-14-9-15-20(19)22(18-12-7-8-13-18)17-10-5-4-6-11-17;2*1-2-4-5-3-1;;;;;;;;;/h2*4-6,10-11,16,18-20H,7-9,12-15H2,1-3H3;2*1-5H2;6*1H3;;;/q;;;;6*-1;3*+2/t2*16-,19?,20?,22+;;;;;;;;;;;/m11.........../s1.
What are the key properties of carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))?
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)) has a molecular weight of 1032.93 g/mol, XLogP of 16.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+)) is sourced from PubChem (CID 162295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).