1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium

C22H25Ti- — CID 173272324

IUPAC1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Ti].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H15.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-6-10(4,5)9(3)8(7)2;/h1-10H;1-5H3;/q;-1;
InChIKeyMPPYUZDCCKYEOR-UHFFFAOYSA-N
MW337.31 g/mol
LogP6.46
Rot. Bonds1

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

1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 173272324) has the molecular formula C22H25Ti- and a molecular weight of 337.31 g/mol. Its IUPAC name is 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Name1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID173272324
Molecular FormulaC22H25Ti-
Molecular Weight337.31 g/mol
Exact Mass337.14
IUPAC Name1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Ti].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H15.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-6-10(4,5)9(3)8(7)2;/h1-10H;1-5H3;/q;-1;
InChIKeyMPPYUZDCCKYEOR-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.31
LogP ≤ 56.46
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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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (CID 173272324) is 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is CC1=[C-]C(C)(C)C(C)=C1C.[Ti].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is MPPYUZDCCKYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H15.Ti/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-6-10(4,5)9(3)8(7)2;/h1-10H;1-5H3;/q;-1;.
What are the key properties of 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 337.31 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 173272324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).