benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide

C37H32Ti-4 — CID 173300738

IUPACbenzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide
SMILES[CH3-].[CH3-].[Ti]=C(c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H9.C13H10.C9H7.2CH3.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-5-9-7-3-6-8(9)4-1;;;/h1-5,7-8H,9H2;1-10H;1-7H;2*1H3;/q-1;;3*-1;
InChIKeyXNRGNNFSUAUICK-UHFFFAOYSA-N
MW524.53 g/mol
LogP9.32
Rot. Bonds2

About benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide

benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide (PubChem CID 173300738) has the molecular formula C37H32Ti-4 and a molecular weight of 524.53 g/mol. Its IUPAC name is benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide.

Molecular Properties

Compound Namebenzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide
PubChem CID173300738
Molecular FormulaC37H32Ti-4
Molecular Weight524.53 g/mol
Exact Mass524.20
IUPAC Namebenzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide
SMILES[CH3-].[CH3-].[Ti]=C(c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H9.C13H10.C9H7.2CH3.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-5-9-7-3-6-8(9)4-1;;;/h1-5,7-8H,9H2;1-10H;1-7H;2*1H3;/q-1;;3*-1;
InChIKeyXNRGNNFSUAUICK-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 59.32
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

1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)
CID 154095887
1,9-dihydrofluoren-1-ide;ethene;1H-inden-1-ide;titanium(4+);dichloride
CID 161292139
bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
CID 163641961
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
CID 159626377
CID 159626377
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenehafnium(2+);dichloride
CID 161299506

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide?
The IUPAC name of benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide (CID 173300738) is benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide.
What is the SMILES notation for benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide?
The canonical SMILES for benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide is [CH3-].[CH3-].[Ti]=C(c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide?
The InChIKey is XNRGNNFSUAUICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C13H10.C9H7.2CH3.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-5-9-7-3-6-8(9)4-1;;;/h1-5,7-8H,9H2;1-10H;1-7H;2*1H3;/q-1;;3*-1;.
What are the key properties of benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide?
benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide has a molecular weight of 524.53 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenetitanium;carbanide;1,9-dihydrofluoren-1-ide;1H-inden-1-ide is sourced from PubChem (CID 173300738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).