3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium

C22H21Hf-3 — CID 175248619

IUPAC3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium
SMILES[CH3-].[CH3-].[Hf].c1ccc(C[c-]2ccc3cc4ccccc4cc32)cc1
InChIInChI=1S/C20H15.2CH3.Hf/c1-2-6-15(7-3-1)12-18-10-11-19-13-16-8-4-5-9-17(16)14-20(18)19;;;/h1-11,13-14H,12H2;2*1H3;/q3*-1;
InChIKeyCOZZOQDVRWMHPS-UHFFFAOYSA-N
MW463.90 g/mol
LogP6.20
Rot. Bonds2

About 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium

3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium (PubChem CID 175248619) has the molecular formula C22H21Hf-3 and a molecular weight of 463.90 g/mol. Its IUPAC name is 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium.

Molecular Properties

Compound Name3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium
PubChem CID175248619
Molecular FormulaC22H21Hf-3
Molecular Weight463.90 g/mol
Exact Mass465.11
IUPAC Name3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium
SMILES[CH3-].[CH3-].[Hf].c1ccc(C[c-]2ccc3cc4ccccc4cc32)cc1
InChIInChI=1S/C20H15.2CH3.Hf/c1-2-6-15(7-3-1)12-18-10-11-19-13-16-8-4-5-9-17(16)14-20(18)19;;;/h1-11,13-14H,12H2;2*1H3;/q3*-1;
InChIKeyCOZZOQDVRWMHPS-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.90
LogP ≤ 56.20
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-benzylinden-1-ide;hafnium;dihydrochloride
CID 174711380
anthracene;benzene;naphthalene
CID 142706236
1-ethylinden-1-ide;hafnium;dihydrochloride
CID 174700662
1-butylinden-1-ide;carbanide;hafnium
CID 175086172
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
1-ethylinden-1-ide;titanium;dihydrobromide
CID 174711611
sodium;anthracene;hydride
CID 173035649
gold;pentacene
CID 162013118

Frequently Asked Questions

What is the IUPAC name of 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium?
The IUPAC name of 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium (CID 175248619) is 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium.
What is the SMILES notation for 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium?
The canonical SMILES for 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium is [CH3-].[CH3-].[Hf].c1ccc(C[c-]2ccc3cc4ccccc4cc32)cc1.
What is the InChIKey of 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium?
The InChIKey is COZZOQDVRWMHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15.2CH3.Hf/c1-2-6-15(7-3-1)12-18-10-11-19-13-16-8-4-5-9-17(16)14-20(18)19;;;/h1-11,13-14H,12H2;2*1H3;/q3*-1;.
What are the key properties of 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium?
3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium has a molecular weight of 463.90 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylcyclopenta[b]naphthalen-3-ide;carbanide;hafnium is sourced from PubChem (CID 175248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).