dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene

C34H29Cl2Zr- — CID 87979345

IUPACdichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene
SMILESCc1ccc([CH-]Cc2ccc(C)c3c2CC(c2ccccc2)=C3)c2c1C=C(c1ccccc1)C2.Cl[Zr]Cl
InChIInChI=1S/C34H29.2ClH.Zr/c1-23-13-15-27(33-21-29(19-31(23)33)25-9-5-3-6-10-25)17-18-28-16-14-24(2)32-20-30(22-34(28)32)26-11-7-4-8-12-26;;;/h3-17,19-20H,18,21-22H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyQPWDKBFUQTVOSW-UHFFFAOYSA-L
MW599.74 g/mol
LogP9.67
Rot. Bonds5

About dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene

dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene (PubChem CID 87979345) has the molecular formula C34H29Cl2Zr- and a molecular weight of 599.74 g/mol. Its IUPAC name is dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene
PubChem CID87979345
Molecular FormulaC34H29Cl2Zr-
Molecular Weight599.74 g/mol
Exact Mass597.07
IUPAC Namedichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene
SMILESCc1ccc([CH-]Cc2ccc(C)c3c2CC(c2ccccc2)=C3)c2c1C=C(c1ccccc1)C2.Cl[Zr]Cl
InChIInChI=1S/C34H29.2ClH.Zr/c1-23-13-15-27(33-21-29(19-31(23)33)25-9-5-3-6-10-25)17-18-28-16-14-24(2)32-20-30(22-34(28)32)26-11-7-4-8-12-26;;;/h3-17,19-20H,18,21-22H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyQPWDKBFUQTVOSW-UHFFFAOYSA-L
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene?
The IUPAC name of dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene (CID 87979345) is dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene.
What is the SMILES notation for dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene?
The canonical SMILES for dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene is Cc1ccc([CH-]Cc2ccc(C)c3c2CC(c2ccccc2)=C3)c2c1C=C(c1ccccc1)C2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene?
The InChIKey is QPWDKBFUQTVOSW-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H29.2ClH.Zr/c1-23-13-15-27(33-21-29(19-31(23)33)25-9-5-3-6-10-25)17-18-28-16-14-24(2)32-20-30(22-34(28)32)26-11-7-4-8-12-26;;;/h3-17,19-20H,18,21-22H2,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene?
dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene has a molecular weight of 599.74 g/mol, XLogP of 9.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-methyl-7-[2-(7-methyl-2-phenyl-3H-inden-4-yl)ethyl]-2-phenyl-1H-indene is sourced from PubChem (CID 87979345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).