carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))

C26H40O2Rh2 — CID 134949357

IUPACcarbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))
SMILESC/C=C\C=C(/C)C(c1ccccc1)(c1ccccc1)C(O)O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3]
InChIInChI=1S/C20H22O2.6CH3.2Rh/c1-3-4-11-16(2)20(19(21)22,17-12-7-5-8-13-17)18-14-9-6-10-15-18;;;;;;;;/h3-15,19,21-22H,1-2H3;6*1H3;;/q;6*-1;2*+3/b4-3-,16-11+;;;;;;;;
InChIKeyVCAZSXKRCIBKEI-CRPFDBATSA-N
MW590.42 g/mol
LogP6.50
Rot. Bonds5

About carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))

carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)) (PubChem CID 134949357) has the molecular formula C26H40O2Rh2 and a molecular weight of 590.42 g/mol. Its IUPAC name is carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)).

Molecular Properties

Compound Namecarbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))
PubChem CID134949357
Molecular FormulaC26H40O2Rh2
Molecular Weight590.42 g/mol
Exact Mass590.11
IUPAC Namecarbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))
SMILESC/C=C\C=C(/C)C(c1ccccc1)(c1ccccc1)C(O)O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3]
InChIInChI=1S/C20H22O2.6CH3.2Rh/c1-3-4-11-16(2)20(19(21)22,17-12-7-5-8-13-17)18-14-9-6-10-15-18;;;;;;;;/h3-15,19,21-22H,1-2H3;6*1H3;;/q;6*-1;2*+3/b4-3-,16-11+;;;;;;;;
InChIKeyVCAZSXKRCIBKEI-CRPFDBATSA-N
XLogP6.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.42
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 142292724
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CID 170234341
ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
CID 163276575
4-methylocta-4,6-dien-3-ylbenzene
CID 123891099
(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
CID 102188552
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
(3E,5Z)-3-ethenyl-2-methyl-2-phenylhepta-3,5-dienal
CID 88999679
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
CID 176995490
(2,4,4,5-tetramethyl-3-phenylhept-5-en-3-yl)benzene
CID 123486620

Frequently Asked Questions

What is the IUPAC name of carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))?
The IUPAC name of carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)) (CID 134949357) is carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)).
What is the SMILES notation for carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))?
The canonical SMILES for carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)) is C/C=C\C=C(/C)C(c1ccccc1)(c1ccccc1)C(O)O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh+3].
What is the InChIKey of carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))?
The InChIKey is VCAZSXKRCIBKEI-CRPFDBATSA-N. The full InChI is InChI=1S/C20H22O2.6CH3.2Rh/c1-3-4-11-16(2)20(19(21)22,17-12-7-5-8-13-17)18-14-9-6-10-15-18;;;;;;;;/h3-15,19,21-22H,1-2H3;6*1H3;;/q;6*-1;2*+3/b4-3-,16-11+;;;;;;;;.
What are the key properties of carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+))?
carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)) has a molecular weight of 590.42 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3E,5Z)-3-methyl-2,2-diphenylhepta-3,5-diene-1,1-diol;bis(rhodium(3+)) is sourced from PubChem (CID 134949357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).