dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene

C30H25Cl2Zr- — CID 87978513

IUPACdichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene
SMILESCc1ccc([CH-]Cc2ccc(C)c3c2-c2ccccc2C3)c2c1Cc1ccccc1-2.Cl[Zr]Cl
InChIInChI=1S/C30H25.2ClH.Zr/c1-19-11-13-21(29-25-9-5-3-7-23(25)17-27(19)29)15-16-22-14-12-20(2)28-18-24-8-4-6-10-26(24)30(22)28;;;/h3-15H,16-18H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyQZGIYJUUEPXZGR-UHFFFAOYSA-L
MW547.66 g/mol
LogP8.62
Rot. Bonds3

About dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene

dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene (PubChem CID 87978513) has the molecular formula C30H25Cl2Zr- and a molecular weight of 547.66 g/mol. Its IUPAC name is dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Namedichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene
PubChem CID87978513
Molecular FormulaC30H25Cl2Zr-
Molecular Weight547.66 g/mol
Exact Mass545.04
IUPAC Namedichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene
SMILESCc1ccc([CH-]Cc2ccc(C)c3c2-c2ccccc2C3)c2c1Cc1ccccc1-2.Cl[Zr]Cl
InChIInChI=1S/C30H25.2ClH.Zr/c1-19-11-13-21(29-25-9-5-3-7-23(25)17-27(19)29)15-16-22-14-12-20(2)28-18-24-8-4-6-10-26(24)30(22)28;;;/h3-15H,16-18H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyQZGIYJUUEPXZGR-UHFFFAOYSA-L
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene 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

10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene
CID 140968918
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623
dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene
CID 87823992
1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
dichlorozirconium;2,3-dimethyl-1H-indene
CID 174258147
14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 158378580
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
3,4-dioctyl-9H-fluorene
CID 173498709
1,2-dihexyl-9H-fluorene
CID 22141601
(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
CID 142743472
1-butyl-2-decyl-9H-fluorene
CID 151429799

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene?
The IUPAC name of dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene (CID 87978513) is dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene.
What is the SMILES notation for dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene?
The canonical SMILES for dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene is Cc1ccc([CH-]Cc2ccc(C)c3c2-c2ccccc2C3)c2c1Cc1ccccc1-2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene?
The InChIKey is QZGIYJUUEPXZGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H25.2ClH.Zr/c1-19-11-13-21(29-25-9-5-3-7-23(25)17-27(19)29)15-16-22-14-12-20(2)28-18-24-8-4-6-10-26(24)30(22)28;;;/h3-15H,16-18H2,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene?
dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene has a molecular weight of 547.66 g/mol, XLogP of 8.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;1-methyl-4-[2-(1-methyl-9H-fluoren-4-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 87978513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).