2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium

C24H23Cl2OZr- — CID 175190469

IUPAC2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium
SMILESCc1ccc2[cH-]c(-c3ccc(C(C)(C)C)o3)cc2c1-c1ccccc1.Cl[Zr]Cl
InChIInChI=1S/C24H23O.2ClH.Zr/c1-16-10-11-18-14-19(21-12-13-22(25-21)24(2,3)4)15-20(18)23(16)17-8-6-5-7-9-17;;;/h5-15H,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyBZHQUGCSIQZNMI-UHFFFAOYSA-L
MW489.58 g/mol
LogP8.47
Rot. Bonds2

About 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium

2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium (PubChem CID 175190469) has the molecular formula C24H23Cl2OZr- and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium.

Molecular Properties

Compound Name2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium
PubChem CID175190469
Molecular FormulaC24H23Cl2OZr-
Molecular Weight489.58 g/mol
Exact Mass487.02
IUPAC Name2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium
SMILESCc1ccc2[cH-]c(-c3ccc(C(C)(C)C)o3)cc2c1-c1ccccc1.Cl[Zr]Cl
InChIInChI=1S/C24H23O.2ClH.Zr/c1-16-10-11-18-14-19(21-12-13-22(25-21)24(2,3)4)15-20(18)23(16)17-8-6-5-7-9-17;;;/h5-15H,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyBZHQUGCSIQZNMI-UHFFFAOYSA-L
XLogP8.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[5-methyl-4-(4-phenylphenyl)-1H-inden-1-id-2-yl]furan;zirconium
CID 151196399
CID 87358362
CID 87358362
2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium
CID 160925897
dichlorozirconium(2+);2-methyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;2-methyl-5-(4-phenyl-1H-inden-1-id-2-yl)furan
CID 175193982
bis(2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan);zirconium(4+);dichloride
CID 175871744
CID 140688766
CID 140688766
2-[4-(4-tert-butylphenyl)-5-methyl-1H-inden-1-id-2-yl]-5-methylfuran;4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+)
CID 87357575
CID 87846971
CID 87846971
CID 87703114
CID 87703114
dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)
CID 154439448
CID 173172607
CID 173172607
dichloro(dimethylsilylidene)zirconium;bis(2-(5-ethyl-6-methyl-4-phenyl-1H-inden-1-id-2-yl)-5-methylfuran)
CID 154439982

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium?
The IUPAC name of 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium (CID 175190469) is 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium.
What is the SMILES notation for 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium?
The canonical SMILES for 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium is Cc1ccc2[cH-]c(-c3ccc(C(C)(C)C)o3)cc2c1-c1ccccc1.Cl[Zr]Cl.
What is the InChIKey of 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium?
The InChIKey is BZHQUGCSIQZNMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H23O.2ClH.Zr/c1-16-10-11-18-14-19(21-12-13-22(25-21)24(2,3)4)15-20(18)23(16)17-8-6-5-7-9-17;;;/h5-15H,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium?
2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium has a molecular weight of 489.58 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;dichlorozirconium is sourced from PubChem (CID 175190469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).