carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane

C37H62B2Fe2 — CID 162270644

IUPACcarbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane
SMILESC.C1CCCC1.C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].c1ccc(B2C3CCCC3B(c3ccccc3)C3CCCC23)cc1
InChIInChI=1S/C22H26B2.2C5H10.CH4.4CH3.2Fe/c1-3-9-17(10-4-1)23-19-13-7-15-21(19)24(18-11-5-2-6-12-18)22-16-8-14-20(22)23;2*1-2-4-5-3-1;;;;;;;/h1-6,9-12,19-22H,7-8,13-16H2;2*1-5H2;1H4;4*1H3;;/q;;;;4*-1;2*+2
InChIKeyYRPFYRFXAQZERW-UHFFFAOYSA-N
MW640.22 g/mol
LogP10.99
Rot. Bonds2

About carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane

carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane (PubChem CID 162270644) has the molecular formula C37H62B2Fe2 and a molecular weight of 640.22 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane.

Molecular Properties

Compound Namecarbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane
PubChem CID162270644
Molecular FormulaC37H62B2Fe2
Molecular Weight640.22 g/mol
Exact Mass640.37
IUPAC Namecarbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane
SMILESC.C1CCCC1.C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].c1ccc(B2C3CCCC3B(c3ccccc3)C3CCCC23)cc1
InChIInChI=1S/C22H26B2.2C5H10.CH4.4CH3.2Fe/c1-3-9-17(10-4-1)23-19-13-7-15-21(19)24(18-11-5-2-6-12-18)22-16-8-14-20(22)23;2*1-2-4-5-3-1;;;;;;;/h1-6,9-12,19-22H,7-8,13-16H2;2*1-5H2;1H4;4*1H3;;/q;;;;4*-1;2*+2
InChIKeyYRPFYRFXAQZERW-UHFFFAOYSA-N
XLogP10.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.22
LogP ≤ 510.99
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'}

Analyze carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane with MolForge

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Related Compounds

(7R,9S)-2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane
CID 140958135
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(3aR,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborole
CID 124629415
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
benzene;bis(cyclohexane);methane
CID 158427441
(4S,6R)-4,6-dicyclohexyl-2-phenyl-1,3,2-dioxaborinane
CID 71445105
benzene;cyclohexane;methane
CID 157495942
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
1,1'-biphenyl;cycloheptane
CID 174877368
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-pyrimidin-2-ylmethanone
CID 171937587
1-cyclohexyl-2-phenylhydrazine
CID 11084664
2-[(1R,2S)-2-(1,3,2-benzodioxaborol-2-yl)cyclohexyl]-1,3,2-benzodioxaborole
CID 139249437

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane?
The IUPAC name of carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane (CID 162270644) is carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane.
What is the SMILES notation for carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane?
The canonical SMILES for carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane is C.C1CCCC1.C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].c1ccc(B2C3CCCC3B(c3ccccc3)C3CCCC23)cc1.
What is the InChIKey of carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane?
The InChIKey is YRPFYRFXAQZERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26B2.2C5H10.CH4.4CH3.2Fe/c1-3-9-17(10-4-1)23-19-13-7-15-21(19)24(18-11-5-2-6-12-18)22-16-8-14-20(22)23;2*1-2-4-5-3-1;;;;;;;/h1-6,9-12,19-22H,7-8,13-16H2;2*1-5H2;1H4;4*1H3;;/q;;;;4*-1;2*+2.
What are the key properties of carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane?
carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane has a molecular weight of 640.22 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentane);2,8-diphenyl-2,8-diboratricyclo[7.3.0.03,7]dodecane;bis(iron(2+));methane is sourced from PubChem (CID 162270644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).