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

C81H137BrFe5N3OP3 — CID 162267819

IUPACbromocyclopentane;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
SMILESBrC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.COc1ccc(P(C2CCCC2)C2CCCC2[C@@H](C)N(C)C)cc1.C[C@H](C1CCCC1[P@](c1ccccc1)C1CCCC1)N(C)C.C[C@H](C1CCCC1[P@](c1ccccc1)C1CCCC1)N(C)C.[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C21H34NOP.2C20H32NP.C5H9Br.3C5H10.5Fe/c1-16(22(2)3)20-10-7-11-21(20)24(18-8-5-6-9-18)19-14-12-17(23-4)13-15-19;2*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;6-5-3-1-2-4-5;3*1-2-4-5-3-1;;;;;/h12-16,18,20-21H,5-11H2,1-4H3;2*4-6,10-11,16,18-20H,7-9,12-15H2,1-3H3;5H,1-4H2;3*1-5H2;;;;;/t16-,20?,21?,24?;2*16-,19?,20?,22-;;;;;;;;;/m111........./s1
InChIKeyXUQMJNUYNZXKAU-AWNLQCSLSA-N
MW1621.06 g/mol
LogP22.74
Rot. Bonds16

About 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

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 (PubChem CID 162267819) has the molecular formula C81H137BrFe5N3OP3 and a molecular weight of 1621.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebromocyclopentane;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
PubChem CID162267819
Molecular FormulaC81H137BrFe5N3OP3
Molecular Weight1621.06 g/mol
Exact Mass1619.59
IUPAC Namebromocyclopentane;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
SMILESBrC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.COc1ccc(P(C2CCCC2)C2CCCC2[C@@H](C)N(C)C)cc1.C[C@H](C1CCCC1[P@](c1ccccc1)C1CCCC1)N(C)C.C[C@H](C1CCCC1[P@](c1ccccc1)C1CCCC1)N(C)C.[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C21H34NOP.2C20H32NP.C5H9Br.3C5H10.5Fe/c1-16(22(2)3)20-10-7-11-21(20)24(18-8-5-6-9-18)19-14-12-17(23-4)13-15-19;2*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;6-5-3-1-2-4-5;3*1-2-4-5-3-1;;;;;/h12-16,18,20-21H,5-11H2,1-4H3;2*4-6,10-11,16,18-20H,7-9,12-15H2,1-3H3;5H,1-4H2;3*1-5H2;;;;;/t16-,20?,21?,24?;2*16-,19?,20?,22-;;;;;;;;;/m111........./s1
InChIKeyXUQMJNUYNZXKAU-AWNLQCSLSA-N
XLogP22.74
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001621.06
LogP ≤ 522.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
CID 155887361
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
CID 162295201
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
CID 58921842
CID 58921842
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
bis(2-methoxycyclohexyl)-phenylphosphane
CID 91365042

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is BrC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.COc1ccc(P(C2CCCC2)C2CCCC2[C@@H](C)N(C)C)cc1.C[C@H](C1CCCC1[P@](c1ccccc1)C1CCCC1)N(C)C.C[C@H](C1CCCC1[P@](c1ccccc1)C1CCCC1)N(C)C.[Fe].[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of 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?
The InChIKey is XUQMJNUYNZXKAU-AWNLQCSLSA-N. The full InChI is InChI=1S/C21H34NOP.2C20H32NP.C5H9Br.3C5H10.5Fe/c1-16(22(2)3)20-10-7-11-21(20)24(18-8-5-6-9-18)19-14-12-17(23-4)13-15-19;2*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;6-5-3-1-2-4-5;3*1-2-4-5-3-1;;;;;/h12-16,18,20-21H,5-11H2,1-4H3;2*4-6,10-11,16,18-20H,7-9,12-15H2,1-3H3;5H,1-4H2;3*1-5H2;;;;;/t16-,20?,21?,24?;2*16-,19?,20?,22-;;;;;;;;;/m111........./s1.
What are the key properties of 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?
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 has a molecular weight of 1621.06 g/mol, XLogP of 22.74, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162267819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).