1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C22H25Cr- — CID 11986587

IUPAC1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Cr].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H15.Cr/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-7(2)9(4)10(5)8(6)3;/h1-10H;1-5H3;/q;-1;
InChIKeyCSIDRIUXHLWNDK-UHFFFAOYSA-N
MW341.44 g/mol
LogP6.30
Rot. Bonds1

About 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 11986587) has the molecular formula C22H25Cr- and a molecular weight of 341.44 g/mol. Its IUPAC name is 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID11986587
Molecular FormulaC22H25Cr-
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Cr].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H15.Cr/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-7(2)9(4)10(5)8(6)3;/h1-10H;1-5H3;/q;-1;
InChIKeyCSIDRIUXHLWNDK-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylbenzene;iridium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 11985186
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 154426986
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
benzene;1,1'-biphenyl;ethane
CID 158550617
chlorotitanium(1+);bis(4-fluoro-2-phenylphenol);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141253005
benzene;tris(1,1'-biphenyl)
CID 162155747
azanide;benzene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(4+);dihydrochloride
CID 172703330
dichlorotitanium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1-phenylnaphthalen-2-ol
CID 131729290

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 11986587) is 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[Cr].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is CSIDRIUXHLWNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H15.Cr/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-7(2)9(4)10(5)8(6)3;/h1-10H;1-5H3;/q;-1;.
What are the key properties of 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 341.44 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;chromium;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 11986587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).