carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)

C30H62N3Ti-2 — CID 173323257

IUPACcarbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[C-]1=CC=CC1.[CH3-].[Ti+3]
InChIInChI=1S/3C8H18N.C5H5.CH3.Ti/c3*1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;;/h3*3-8H2,1-2H3;1-3H,4H2;1H3;/q5*-1;+3
InChIKeyOZDDYYDWWDMRSF-UHFFFAOYSA-N
MW512.71 g/mol
LogP10.63
Rot. Bonds18

About carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)

carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+) (PubChem CID 173323257) has the molecular formula C30H62N3Ti-2 and a molecular weight of 512.71 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
PubChem CID173323257
Molecular FormulaC30H62N3Ti-2
Molecular Weight512.71 g/mol
Exact Mass512.44
IUPAC Namecarbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[C-]1=CC=CC1.[CH3-].[Ti+3]
InChIInChI=1S/3C8H18N.C5H5.CH3.Ti/c3*1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;;/h3*3-8H2,1-2H3;1-3H,4H2;1H3;/q5*-1;+3
InChIKeyOZDDYYDWWDMRSF-UHFFFAOYSA-N
XLogP10.63
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.71
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)
CID 173323248
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CID 173204654
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
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CID 174419240
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CID 173317423
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
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CID 173150447

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+) (CID 173323257) is carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+) is CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[C-]1=CC=CC1.[CH3-].[Ti+3].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)?
The InChIKey is OZDDYYDWWDMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H18N.C5H5.CH3.Ti/c3*1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;;/h3*3-8H2,1-2H3;1-3H,4H2;1H3;/q5*-1;+3.
What are the key properties of carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)?
carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+) has a molecular weight of 512.71 g/mol, XLogP of 10.63, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+) is sourced from PubChem (CID 173323257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).