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

C29H24Cl2Zr — CID 140968918

IUPACdichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene
SMILESCc1ccc2c(c1Cc1c(C)ccc3c1Cc1ccccc1-3)Cc1ccccc1-2.Cl[Zr]Cl
InChIInChI=1S/C29H24.2ClH.Zr/c1-18-11-13-24-22-9-5-3-7-20(22)15-28(24)26(18)17-27-19(2)12-14-25-23-10-6-4-8-21(23)16-29(25)27;;;/h3-14H,15-17H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVJSVMEHZZWQXRN-UHFFFAOYSA-L
MW534.64 g/mol
LogP8.41
Rot. Bonds2

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

dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene (PubChem CID 140968918) has the molecular formula C29H24Cl2Zr and a molecular weight of 534.64 g/mol. Its IUPAC name is dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene.

Molecular Properties

Compound Namedichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene
PubChem CID140968918
Molecular FormulaC29H24Cl2Zr
Molecular Weight534.64 g/mol
Exact Mass532.03
IUPAC Namedichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene
SMILESCc1ccc2c(c1Cc1c(C)ccc3c1Cc1ccccc1-3)Cc1ccccc1-2.Cl[Zr]Cl
InChIInChI=1S/C29H24.2ClH.Zr/c1-18-11-13-24-22-9-5-3-7-20(22)15-28(24)26(18)17-27-19(2)12-14-25-23-10-6-4-8-21(23)16-29(25)27;;;/h3-14H,15-17H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVJSVMEHZZWQXRN-UHFFFAOYSA-L
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1,2-diethyl-9H-fluorene
CID 23440471
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1,2-dihexyl-9H-fluorene
CID 22141601
dichlorozirconium;2,3-dimethyl-1H-indene
CID 174258147
1-butyl-2-decyl-9H-fluorene
CID 151429799
1-hexyl-9H-fluoren-2-amine
CID 57359668
(2-amino-9H-fluoren-1-yl)methanol
CID 67611145
1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene?
The IUPAC name of dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene (CID 140968918) is dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene.
What is the SMILES notation for dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene?
The canonical SMILES for dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene is Cc1ccc2c(c1Cc1c(C)ccc3c1Cc1ccccc1-3)Cc1ccccc1-2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene?
The InChIKey is VJSVMEHZZWQXRN-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H24.2ClH.Zr/c1-18-11-13-24-22-9-5-3-7-20(22)15-28(24)26(18)17-27-19(2)12-14-25-23-10-6-4-8-21(23)16-29(25)27;;;/h3-14H,15-17H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene?
dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene has a molecular weight of 534.64 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-methyl-1-[(2-methyl-9H-fluoren-1-yl)methyl]-9H-fluorene is sourced from PubChem (CID 140968918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).