dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene

C27H34Cl2Zr — CID 174745088

IUPACdichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene
SMILESCc1cc2c(cc1C1CCCCC1)-c1cc(C3CCCCC3)c(C)cc1C2.Cl[Zr]Cl
InChIInChI=1S/C27H34.2ClH.Zr/c1-18-13-22-15-23-14-19(2)25(21-11-7-4-8-12-21)17-27(23)26(22)16-24(18)20-9-5-3-6-10-20;;;/h13-14,16-17,20-21H,3-12,15H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyXIUVICRXYSNTGR-UHFFFAOYSA-L
MW520.70 g/mol
LogP9.35
Rot. Bonds2

About dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene

dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene (PubChem CID 174745088) has the molecular formula C27H34Cl2Zr and a molecular weight of 520.70 g/mol. Its IUPAC name is dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Namedichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene
PubChem CID174745088
Molecular FormulaC27H34Cl2Zr
Molecular Weight520.70 g/mol
Exact Mass518.11
IUPAC Namedichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene
SMILESCc1cc2c(cc1C1CCCCC1)-c1cc(C3CCCCC3)c(C)cc1C2.Cl[Zr]Cl
InChIInChI=1S/C27H34.2ClH.Zr/c1-18-13-22-15-23-14-19(2)25(21-11-7-4-8-12-21)17-27(23)26(22)16-24(18)20-9-5-3-6-10-20;;;/h13-14,16-17,20-21H,3-12,15H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyXIUVICRXYSNTGR-UHFFFAOYSA-L
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dicyclohexyl-9H-fluorene
CID 21095222
3,6-dicyclohexyl-9H-fluorene
CID 87146028
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CID 125449329
2-chloro-4-cyclohexyl-5-methylpyridine
CID 146459064
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
3,4-bis(5-cyclohexyl-2-hydroxy-4-methylphenyl)benzene-1,2-diol;ethane
CID 175325122
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene?
The IUPAC name of dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene (CID 174745088) is dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene.
What is the SMILES notation for dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene?
The canonical SMILES for dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene is Cc1cc2c(cc1C1CCCCC1)-c1cc(C3CCCCC3)c(C)cc1C2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene?
The InChIKey is XIUVICRXYSNTGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H34.2ClH.Zr/c1-18-13-22-15-23-14-19(2)25(21-11-7-4-8-12-21)17-27(23)26(22)16-24(18)20-9-5-3-6-10-20;;;/h13-14,16-17,20-21H,3-12,15H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene?
dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene has a molecular weight of 520.70 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;3,6-dicyclohexyl-2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 174745088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).