carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)

C23H21N4Ti+ — CID 139242536

IUPACcarbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)
SMILESC(=N/c1ccccc1)\c1ccc[n-]1.C(=N/c1ccccc1)\c1ccc[n-]1.[CH3-].[Ti+4]
InChIInChI=1S/2C11H9N2.CH3.Ti/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;;/h2*1-9H;1H3;/q3*-1;+4/b2*13-9+;;
InChIKeyUROVFCWFCWVLSM-BNLRVGSJSA-N
MW401.32 g/mol
LogP5.24
Rot. Bonds4

About carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)

carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+) (PubChem CID 139242536) has the molecular formula C23H21N4Ti+ and a molecular weight of 401.32 g/mol. Its IUPAC name is carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)
PubChem CID139242536
Molecular FormulaC23H21N4Ti+
Molecular Weight401.32 g/mol
Exact Mass401.12
IUPAC Namecarbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)
SMILESC(=N/c1ccccc1)\c1ccc[n-]1.C(=N/c1ccccc1)\c1ccc[n-]1.[CH3-].[Ti+4]
InChIInChI=1S/2C11H9N2.CH3.Ti/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;;/h2*1-9H;1H3;/q3*-1;+4/b2*13-9+;;
InChIKeyUROVFCWFCWVLSM-BNLRVGSJSA-N
XLogP5.24
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);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

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)?
The IUPAC name of carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+) (CID 139242536) is carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+).
What is the SMILES notation for carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)?
The canonical SMILES for carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+) is C(=N/c1ccccc1)\c1ccc[n-]1.C(=N/c1ccccc1)\c1ccc[n-]1.[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)?
The InChIKey is UROVFCWFCWVLSM-BNLRVGSJSA-N. The full InChI is InChI=1S/2C11H9N2.CH3.Ti/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;;/h2*1-9H;1H3;/q3*-1;+4/b2*13-9+;;.
What are the key properties of carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+)?
carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+) has a molecular weight of 401.32 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(N-phenyl-1-pyrrol-1-id-2-ylmethanimine);titanium(4+) is sourced from PubChem (CID 139242536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).