bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)

C24H24Ti — CID 15128180

IUPACbis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)
SMILES[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7.2C5H5.Ti/c2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;/h2*2-6H,1H2;2*1-5H;/q4*-1;+4
InChIKeyTURDZROQXSJWJM-UHFFFAOYSA-N
MW360.32 g/mol
LogP6.55
Rot. Bonds

About bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)

bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+) (PubChem CID 15128180) has the molecular formula C24H24Ti and a molecular weight of 360.32 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)
PubChem CID15128180
Molecular FormulaC24H24Ti
Molecular Weight360.32 g/mol
Exact Mass360.14
IUPAC Namebis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)
SMILES[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7.2C5H5.Ti/c2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;/h2*2-6H,1H2;2*1-5H;/q4*-1;+4
InChIKeyTURDZROQXSJWJM-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.32
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium
CID 11985193
cyclopenta-1,3-diene;dichlorozirconium;methanidylbenzene
CID 174405871
methanidylbenzene;zinc
CID 57471618
methanidylbenzene;uranium(2+)
CID 20736562
hafnium;methanidylbenzene
CID 57417385
magnesium;methanidylbenzene;hydrochloride
CID 175590637
iron;methanidylbenzene;hydrate
CID 174771538
CID 172832210
CID 172832210
carbanide;methanidylbenzene;molybdenum(2+)
CID 150166404
CID 11037808
CID 11037808
chlorotitanium(3+);methanidylbenzene
CID 14493771
magnesium;zinc;methanidylbenzene;trichloride
CID 174749410

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+) (CID 15128180) is bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+) is [CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)?
The InChIKey is TURDZROQXSJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.2C5H5.Ti/c2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;/h2*2-6H,1H2;2*1-5H;/q4*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+)?
bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+) has a molecular weight of 360.32 g/mol, XLogP of 6.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);methanidylbenzene;titanium(4+) is sourced from PubChem (CID 15128180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).