carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide

C26H30Ti-4 — CID 173290394

IUPACcarbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[Ti]=C1CCCCC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H10.C5H5.2CH3.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-9H;1-5H2;1-3H,4H2;2*1H3;/q-1;;3*-1;
InChIKeyIUZQEXDVVUZOCT-UHFFFAOYSA-N
MW390.39 g/mol
LogP7.59
Rot. Bonds

About carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide

carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide (PubChem CID 173290394) has the molecular formula C26H30Ti-4 and a molecular weight of 390.39 g/mol. Its IUPAC name is carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide.

Molecular Properties

Compound Namecarbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide
PubChem CID173290394
Molecular FormulaC26H30Ti-4
Molecular Weight390.39 g/mol
Exact Mass390.18
IUPAC Namecarbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide
SMILES[C-]1=CC=CC1.[CH3-].[CH3-].[Ti]=C1CCCCC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H10.C5H5.2CH3.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-9H;1-5H2;1-3H,4H2;2*1H3;/q-1;;3*-1;
InChIKeyIUZQEXDVVUZOCT-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 57.59
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

cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87137180
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
CID 173221097
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
CID 86749727
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
CID 173276833
cyclopenta-1,3-diene;di(propan-2-ylidene)hafnium;9H-fluoren-9-ide
CID 173322687
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
CID 173031425
CID 173031425

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide?
The IUPAC name of carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide (CID 173290394) is carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide.
What is the SMILES notation for carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide?
The canonical SMILES for carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide is [C-]1=CC=CC1.[CH3-].[CH3-].[Ti]=C1CCCCC1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide?
The InChIKey is IUZQEXDVVUZOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C6H10.C5H5.2CH3.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-9H;1-5H2;1-3H,4H2;2*1H3;/q-1;;3*-1;.
What are the key properties of carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide?
carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide has a molecular weight of 390.39 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide is sourced from PubChem (CID 173290394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).