carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium

C17H19Hf-3 — CID 173229354

IUPACcarbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium
SMILESCc1ccc2c(c1)[cH-]c1cc(C)ccc12.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C15H13.2CH3.Hf/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;;;/h3-9H,1-2H3;2*1H3;/q3*-1;
InChIKeyUYUCDUYUMWCJNA-UHFFFAOYSA-N
MW401.83 g/mol
LogP5.23
Rot. Bonds

About carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium

carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium (PubChem CID 173229354) has the molecular formula C17H19Hf-3 and a molecular weight of 401.83 g/mol. Its IUPAC name is carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium.

Molecular Properties

Compound Namecarbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium
PubChem CID173229354
Molecular FormulaC17H19Hf-3
Molecular Weight401.83 g/mol
Exact Mass403.10
IUPAC Namecarbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium
SMILESCc1ccc2c(c1)[cH-]c1cc(C)ccc12.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C15H13.2CH3.Hf/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;;;/h3-9H,1-2H3;2*1H3;/q3*-1;
InChIKeyUYUCDUYUMWCJNA-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 55.23
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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Frequently Asked Questions

What is the IUPAC name of carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium?
The IUPAC name of carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium (CID 173229354) is carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium.
What is the SMILES notation for carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium?
The canonical SMILES for carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium is Cc1ccc2c(c1)[cH-]c1cc(C)ccc12.[CH3-].[CH3-].[Hf].
What is the InChIKey of carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium?
The InChIKey is UYUCDUYUMWCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13.2CH3.Hf/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;;;/h3-9H,1-2H3;2*1H3;/q3*-1;.
What are the key properties of carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium?
carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium has a molecular weight of 401.83 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,7-dimethyl-9H-fluoren-9-ide;hafnium is sourced from PubChem (CID 173229354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).