carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium

C28H34Hf-2 — CID 174706439

IUPACcarbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium
SMILESC=CCCC(CCC)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C26H28.2CH3.Hf/c1-3-5-18-26(17-4-2,21-12-7-8-13-21)25-16-10-15-23-22-14-9-6-11-20(22)19-24(23)25;;;/h3,6-12,14-16H,1,4-5,13,17-19H2,2H3;2*1H3;/q;2*-1;
InChIKeyZWNZVAQLWDWAQJ-UHFFFAOYSA-N
MW549.07 g/mol
LogP8.05
Rot. Bonds7

About carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium

carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium (PubChem CID 174706439) has the molecular formula C28H34Hf-2 and a molecular weight of 549.07 g/mol. Its IUPAC name is carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium.

Molecular Properties

Compound Namecarbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium
PubChem CID174706439
Molecular FormulaC28H34Hf-2
Molecular Weight549.07 g/mol
Exact Mass550.21
IUPAC Namecarbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium
SMILESC=CCCC(CCC)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C26H28.2CH3.Hf/c1-3-5-18-26(17-4-2,21-12-7-8-13-21)25-16-10-15-23-22-14-9-6-11-20(22)19-24(23)25;;;/h3,6-12,14-16H,1,4-5,13,17-19H2,2H3;2*1H3;/q;2*-1;
InChIKeyZWNZVAQLWDWAQJ-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.07
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium with MolForge

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Launch Full Analysis

Related Compounds

1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride
CID 173223314
3-cyclopenta-1,3-dien-1-yl-3-(9H-fluoren-1-yl)pentan-1-ol
CID 18622804
1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene
CID 22373058
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
1-[1-(9H-fluoren-1-yl)dec-9-en-2-yl]-9H-fluorene
CID 19692122
1-nona-3,8-dien-3-yl-9H-fluorene
CID 150361439
2,7-ditert-butyl-1-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-2-enyl)-9H-fluorene;zirconium(2+);dichloride
CID 173043554
1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
CID 150198679
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
CID 18402444

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium?
The IUPAC name of carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium (CID 174706439) is carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium.
What is the SMILES notation for carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium?
The canonical SMILES for carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium is C=CCCC(CCC)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[CH3-].[CH3-].[Hf].
What is the InChIKey of carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium?
The InChIKey is ZWNZVAQLWDWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28.2CH3.Hf/c1-3-5-18-26(17-4-2,21-12-7-8-13-21)25-16-10-15-23-22-14-9-6-11-20(22)19-24(23)25;;;/h3,6-12,14-16H,1,4-5,13,17-19H2,2H3;2*1H3;/q;2*-1;.
What are the key properties of carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium?
carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium has a molecular weight of 549.07 g/mol, XLogP of 8.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium is sourced from PubChem (CID 174706439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).