carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)

C32H64FeP2 — CID 162281940

IUPACcarbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
SMILESC1CCCC1.CC(C)[C@H]1CC[C@H](C(C)C)P1C1CCCC1P1[C@@H](C(C)C)CC[C@@H]1C(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C25H48P2.C5H10.2CH3.Fe/c1-16(2)20-12-13-21(17(3)4)26(20)24-10-9-11-25(24)27-22(18(5)6)14-15-23(27)19(7)8;1-2-4-5-3-1;;;/h16-25H,9-15H2,1-8H3;1-5H2;2*1H3;/q;;2*-1;+2/t20-,21-,22-,23-,24?,25?;;;;/m1..../s1
InChIKeyHRWWXIDDPFNIMD-NNKQVLTKSA-N
MW566.66 g/mol
LogP11.41
Rot. Bonds6

About carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)

carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+) (PubChem CID 162281940) has the molecular formula C32H64FeP2 and a molecular weight of 566.66 g/mol. Its IUPAC name is carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
PubChem CID162281940
Molecular FormulaC32H64FeP2
Molecular Weight566.66 g/mol
Exact Mass566.38
IUPAC Namecarbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
SMILESC1CCCC1.CC(C)[C@H]1CC[C@H](C(C)C)P1C1CCCC1P1[C@@H](C(C)C)CC[C@@H]1C(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C25H48P2.C5H10.2CH3.Fe/c1-16(2)20-12-13-21(17(3)4)26(20)24-10-9-11-25(24)27-22(18(5)6)14-15-23(27)19(7)8;1-2-4-5-3-1;;;/h16-25H,9-15H2,1-8H3;1-5H2;2*1H3;/q;;2*-1;+2/t20-,21-,22-,23-,24?,25?;;;;/m1..../s1
InChIKeyHRWWXIDDPFNIMD-NNKQVLTKSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+) with MolForge

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Related Compounds

(2S)-1-(1-ethylcyclopentyl)-2,5-di(propan-2-yl)phospholane
CID 166973641
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
CID 58900685
(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride
CID 155885072
bis((2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+)
CID 172907917
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
2-methyl-1,5-di(propan-2-yl)phospholane
CID 146200751
methane;propan-2-ylcyclotetradecane
CID 159882779
1-(2-aminocyclononyl)ethanol
CID 123398875
(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol
CID 90132841
ethane;methane;propan-2-ylcyclohexane
CID 169430642

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)?
The IUPAC name of carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+) (CID 162281940) is carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+) is C1CCCC1.CC(C)[C@H]1CC[C@H](C(C)C)P1C1CCCC1P1[C@@H](C(C)C)CC[C@@H]1C(C)C.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)?
The InChIKey is HRWWXIDDPFNIMD-NNKQVLTKSA-N. The full InChI is InChI=1S/C25H48P2.C5H10.2CH3.Fe/c1-16(2)20-12-13-21(17(3)4)26(20)24-10-9-11-25(24)27-22(18(5)6)14-15-23(27)19(7)8;1-2-4-5-3-1;;;/h16-25H,9-15H2,1-8H3;1-5H2;2*1H3;/q;;2*-1;+2/t20-,21-,22-,23-,24?,25?;;;;/m1..../s1.
What are the key properties of carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)?
carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+) has a molecular weight of 566.66 g/mol, XLogP of 11.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+) is sourced from PubChem (CID 162281940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).