CID 10876135

C27H40BF4FeP2Rh+ — CID 10876135

IUPAC—
SMILESC1=CC2C=CC1C2.C[P@]([C]1[CH][CH][CH][CH]1)C(C)(C)C.C[P@]([C]1[CH][CH][CH][CH]1)C(C)(C)C.F[B-](F)(F)F.[Fe+2].[Rh]
InChIInChI=1S/2C10H16P.C7H8.BF4.Fe.Rh/c2*1-10(2,3)11(4)9-7-5-6-8-9;1-2-7-4-3-6(1)5-7;2-1(3,4)5;;/h2*5-8H,1-4H3;1-4,6-7H,5H2;;;/q;;;-1;+2;/t2*11-;;;;/m11..../s1
InChIKeyCZAHVLZQRFQXFB-KGFKVAEWSA-N
MW672.12 g/mol
LogP9.56
Rot. Bonds2

About CID 10876135

CID 10876135 (PubChem CID 10876135) has the molecular formula C27H40BF4FeP2Rh+ and a molecular weight of 672.12 g/mol.

Molecular Properties

Compound NameCID 10876135
PubChem CID10876135
Molecular FormulaC27H40BF4FeP2Rh+
Molecular Weight672.12 g/mol
Exact Mass672.10
IUPAC Name—
SMILESC1=CC2C=CC1C2.C[P@]([C]1[CH][CH][CH][CH]1)C(C)(C)C.C[P@]([C]1[CH][CH][CH][CH]1)C(C)(C)C.F[B-](F)(F)F.[Fe+2].[Rh]
InChIInChI=1S/2C10H16P.C7H8.BF4.Fe.Rh/c2*1-10(2,3)11(4)9-7-5-6-8-9;1-2-7-4-3-6(1)5-7;2-1(3,4)5;;/h2*5-8H,1-4H3;1-4,6-7H,5H2;;;/q;;;-1;+2;/t2*11-;;;;/m11..../s1
InChIKeyCZAHVLZQRFQXFB-KGFKVAEWSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.12
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(S,S)-1,2-Bis((tert-butyl)methylphosphino)ethane(eta-(2,5-norbornadiene))rhodium(I) Tetrafluoroborate
CID 70700156
bicyclo[2.2.1]hepta-2,5-diene;(S)-cyclopentyl-[2-[cyclopentyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate
CID 11060583
bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate
CID 11734019
bicyclo[2.2.1]hepta-2,5-diene;(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane;rhodium;tetrafluoroborate
CID 44630155

Frequently Asked Questions

What is the IUPAC name of CID 10876135?
The IUPAC name of CID 10876135 (CID 10876135) is not available.
What is the SMILES notation for CID 10876135?
The canonical SMILES for CID 10876135 is C1=CC2C=CC1C2.C[P@]([C]1[CH][CH][CH][CH]1)C(C)(C)C.C[P@]([C]1[CH][CH][CH][CH]1)C(C)(C)C.F[B-](F)(F)F.[Fe+2].[Rh].
What is the InChIKey of CID 10876135?
The InChIKey is CZAHVLZQRFQXFB-KGFKVAEWSA-N. The full InChI is InChI=1S/2C10H16P.C7H8.BF4.Fe.Rh/c2*1-10(2,3)11(4)9-7-5-6-8-9;1-2-7-4-3-6(1)5-7;2-1(3,4)5;;/h2*5-8H,1-4H3;1-4,6-7H,5H2;;;/q;;;-1;+2;/t2*11-;;;;/m11..../s1.
What are the key properties of CID 10876135?
CID 10876135 has a molecular weight of 672.12 g/mol, XLogP of 9.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10876135 is sourced from PubChem (CID 10876135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).