cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole

C24H21F2NZr — CID 154434331

IUPACcyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole
SMILESCc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.F[Zr+2]F.c1cc[cH-]c1
InChIInChI=1S/C19H16N.C5H5.2FH.Zr/c1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;1-2-4-5-3-1;;;/h3-12H,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeySVIBNORYEWZLOG-UHFFFAOYSA-L
MW452.66 g/mol
LogP7.36
Rot. Bonds1

About cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole

cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole (PubChem CID 154434331) has the molecular formula C24H21F2NZr and a molecular weight of 452.66 g/mol. Its IUPAC name is cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole.

Molecular Properties

Compound Namecyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole
PubChem CID154434331
Molecular FormulaC24H21F2NZr
Molecular Weight452.66 g/mol
Exact Mass451.07
IUPAC Namecyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole
SMILESCc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.F[Zr+2]F.c1cc[cH-]c1
InChIInChI=1S/C19H16N.C5H5.2FH.Zr/c1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;1-2-4-5-3-1;;;/h3-12H,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeySVIBNORYEWZLOG-UHFFFAOYSA-L
XLogP7.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole 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

bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);titanium(4+);dichloride
CID 87862979
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride
CID 87862650
1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;1,2,3-trimethylcyclopenta-1,3-diene;zirconium(4+);difluoride
CID 87862748
cyclopenta-2,4-dien-1-ylmethylbenzene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(4+);dichloride
CID 159911480
cyclopenta-1,3-diene;dichlorozirconium(2+);1-(1H-inden-1-id-2-yl)-2-methylindole
CID 154434272
chloromethane;cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(2+)
CID 87862624
cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)-2-methylindole
CID 154434301
cyclopenta-1,4-dien-1-ylmethylbenzene;hafnium(4+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;dichloride
CID 87863078
2-butylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)-2,3-dimethylindole;zirconium(4+);difluoride
CID 87863286
4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]indole;zirconium(3+);dichloride
CID 87935175
hafnium(4+);1-(1H-inden-1-id-2-yl)-2-methylindole;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;dichloride
CID 87862854
1-(1H-inden-1-id-2-yl)-2-methylindole;1-(1H-inden-1-id-4-yl)pyrrole;zirconium(4+);dichloride
CID 87863565

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole?
The IUPAC name of cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole (CID 154434331) is cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole.
What is the SMILES notation for cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole?
The canonical SMILES for cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole is Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.F[Zr+2]F.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole?
The InChIKey is SVIBNORYEWZLOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H16N.C5H5.2FH.Zr/c1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;1-2-4-5-3-1;;;/h3-12H,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole?
cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole has a molecular weight of 452.66 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;difluorozirconium(2+);1-(1H-inden-1-id-2-yl)-2,3-dimethylindole is sourced from PubChem (CID 154434331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).