benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)

C62H75O3Rf11-19 — CID 160571568

IUPACbenzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)
SMILESCO.CO.Cc1c[c-]c[c-]c1.Cc1c[c-]ccc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Oc1cc[c-]cc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[c-]1c[c-]c[c-]c1.[c-]1cc[c-]cc1
InChIInChI=1S/4C7H7.C7H6.C6H5O.C6H4.C6H3.2CH4O.7CH3.11Rf/c5*1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;2*1-2;;;;;;;;;;;;;;;;;;/h3*3-6H,1H3;2-3,5-6H,1H3;2,5-6H,1H3;2-5,7H;1-2,5-6H;1,4-5H;2*2H,1H3;7*1H3;;;;;;;;;;;/q4*-1;-2;-1;-2;-3;;;7*-1;;;;;;;;;;;
InChIKeyNHYPVSMJBVWLKQ-UHFFFAOYSA-N
MW3805.28 g/mol
LogP14.71
Rot. Bonds

About benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)

benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium) (PubChem CID 160571568) has the molecular formula C62H75O3Rf11-19 and a molecular weight of 3805.28 g/mol. Its IUPAC name is benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium).

Molecular Properties

Compound Namebenzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)
PubChem CID160571568
Molecular FormulaC62H75O3Rf11-19
Molecular Weight3805.28 g/mol
Exact Mass3805.92
IUPAC Namebenzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)
SMILESCO.CO.Cc1c[c-]c[c-]c1.Cc1c[c-]ccc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Oc1cc[c-]cc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[c-]1c[c-]c[c-]c1.[c-]1cc[c-]cc1
InChIInChI=1S/4C7H7.C7H6.C6H5O.C6H4.C6H3.2CH4O.7CH3.11Rf/c5*1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;2*1-2;;;;;;;;;;;;;;;;;;/h3*3-6H,1H3;2-3,5-6H,1H3;2,5-6H,1H3;2-5,7H;1-2,5-6H;1,4-5H;2*2H,1H3;7*1H3;;;;;;;;;;;/q4*-1;-2;-1;-2;-3;;;7*-1;;;;;;;;;;;
InChIKeyNHYPVSMJBVWLKQ-UHFFFAOYSA-N
XLogP14.71
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003805.28
LogP ≤ 514.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 59021339
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CID 173027237
methylbenzene
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CID 160800494
methylbenzene;tungsten
CID 58806185
ethane;methylbenzene;tungsten(2+)
CID 159613245
carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)
CID 161381388
carbanide;methylbenzene;propane;yttrium
CID 157106806
methanol;methylbenzene;titanium
CID 141397968
ethane;methylbenzene;4-methylphenol;yttrium
CID 160854018
magnesium;1-methyl-4-phenylbenzene;bromide
CID 91655477
tetrakis(benzene-5-ide-1,2-diol);tetrakis(2-fluorobenzene-4-id-1-ol);methane;methylbenzene;bis(2-methylbenzene-5-id-1-ol);phenol;undecakis(yttrium)
CID 159990148

Frequently Asked Questions

What is the IUPAC name of benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)?
The IUPAC name of benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium) (CID 160571568) is benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium).
What is the SMILES notation for benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)?
The canonical SMILES for benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium) is CO.CO.Cc1c[c-]c[c-]c1.Cc1c[c-]ccc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Cc1cc[c-]cc1.Oc1cc[c-]cc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[c-]1c[c-]c[c-]c1.[c-]1cc[c-]cc1.
What is the InChIKey of benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)?
The InChIKey is NHYPVSMJBVWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H7.C7H6.C6H5O.C6H4.C6H3.2CH4O.7CH3.11Rf/c5*1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;2*1-2;;;;;;;;;;;;;;;;;;/h3*3-6H,1H3;2-3,5-6H,1H3;2,5-6H,1H3;2-5,7H;1-2,5-6H;1,4-5H;2*2H,1H3;7*1H3;;;;;;;;;;;/q4*-1;-2;-1;-2;-3;;;7*-1;;;;;;;;;;;.
What are the key properties of benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium)?
benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium) has a molecular weight of 3805.28 g/mol, XLogP of 14.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzene;carbanide;methanol;methylbenzene;methylbenzene;methylbenzene;phenol;undecakis(rutherfordium) is sourced from PubChem (CID 160571568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).