anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene

C25H27Co- — CID 633568

IUPACanthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC[c-]1c(C)c(C)c(C)c1C.[Co].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C11H17.Co/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-6-11-9(4)7(2)8(3)10(11)5;/h1-10H;6H2,1-5H3;/q;-1;
InChIKeyBFTMQXOKKIQQEK-UHFFFAOYSA-N
MW386.42 g/mol
LogP7.19
Rot. Bonds1

About anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene

anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 633568) has the molecular formula C25H27Co- and a molecular weight of 386.42 g/mol. Its IUPAC name is anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameanthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID633568
Molecular FormulaC25H27Co-
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Nameanthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC[c-]1c(C)c(C)c(C)c1C.[Co].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C11H17.Co/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-6-11-9(4)7(2)8(3)10(11)5;/h1-10H;6H2,1-5H3;/q;-1;
InChIKeyBFTMQXOKKIQQEK-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 633568) is anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC[c-]1c(C)c(C)c(C)c1C.[Co].c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is BFTMQXOKKIQQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C11H17.Co/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-6-11-9(4)7(2)8(3)10(11)5;/h1-10H;6H2,1-5H3;/q;-1;.
What are the key properties of anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 386.42 g/mol, XLogP of 7.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;cobalt;5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 633568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).