2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium

C38H32F6O2Zr — CID 22676304

IUPAC2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium
SMILESCc1cc2c(cc1C)C(c1cc(C(F)(F)F)ccc1O)C(CCC1=Cc3cc(C)c(C)cc3C1c1cc(C(F)(F)F)ccc1O)=C2.[Zr]
InChIInChI=1S/C38H32F6O2.Zr/c1-19-11-25-15-23(35(29(25)13-21(19)3)31-17-27(37(39,40)41)7-9-33(31)45)5-6-24-16-26-12-20(2)22(4)14-30(26)36(24)32-18-28(38(42,43)44)8-10-34(32)46;/h7-18,35-36,45-46H,5-6H2,1-4H3;
InChIKeyDCAZWRLDVIFGIB-UHFFFAOYSA-N
MW725.88 g/mol
LogP10.90
Rot. Bonds5

About 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium

2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium (PubChem CID 22676304) has the molecular formula C38H32F6O2Zr and a molecular weight of 725.88 g/mol. Its IUPAC name is 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium.

Molecular Properties

Compound Name2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium
PubChem CID22676304
Molecular FormulaC38H32F6O2Zr
Molecular Weight725.88 g/mol
Exact Mass724.14
IUPAC Name2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium
SMILESCc1cc2c(cc1C)C(c1cc(C(F)(F)F)ccc1O)C(CCC1=Cc3cc(C)c(C)cc3C1c1cc(C(F)(F)F)ccc1O)=C2.[Zr]
InChIInChI=1S/C38H32F6O2.Zr/c1-19-11-25-15-23(35(29(25)13-21(19)3)31-17-27(37(39,40)41)7-9-33(31)45)5-6-24-16-26-12-20(2)22(4)14-30(26)36(24)32-18-28(38(42,43)44)8-10-34(32)46;/h7-18,35-36,45-46H,5-6H2,1-4H3;
InChIKeyDCAZWRLDVIFGIB-UHFFFAOYSA-N
XLogP10.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.88
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium with MolForge

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Related Compounds

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CID 92905
Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
CID 14228559
Nsc157469
CID 291903
2,4,6-Tris(1-phenylethyl)phenol
CID 86688
6-(4-Hydroxy-phenyl)-1-phenyl-naphthalen-2-ol
CID 10171886
6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
CID 24894072
6-(4-Hydroxy-3-(trifluoromethyl)phenyl)-1-naphthol
CID 56643459
2-(4-Hydroxy-phenyl)-1-(4-trifluoromethyl-phenyl)-3H-inden-5-ol
CID 11696330
Isoplagiochin D
CID 11732630
Cresol, alpha,alpha'-(dimethylphenylene)di-
CID 50962
2,6-Diphenyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3,5-diphenylphenyl)propan-2-yl]phenol
CID 57894616

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium?
The IUPAC name of 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium (CID 22676304) is 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium.
What is the SMILES notation for 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium?
The canonical SMILES for 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium is Cc1cc2c(cc1C)C(c1cc(C(F)(F)F)ccc1O)C(CCC1=Cc3cc(C)c(C)cc3C1c1cc(C(F)(F)F)ccc1O)=C2.[Zr].
What is the InChIKey of 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium?
The InChIKey is DCAZWRLDVIFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32F6O2.Zr/c1-19-11-25-15-23(35(29(25)13-21(19)3)31-17-27(37(39,40)41)7-9-33(31)45)5-6-24-16-26-12-20(2)22(4)14-30(26)36(24)32-18-28(38(42,43)44)8-10-34(32)46;/h7-18,35-36,45-46H,5-6H2,1-4H3;.
What are the key properties of 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium?
2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium has a molecular weight of 725.88 g/mol, XLogP of 10.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5,6-dimethyl-1H-inden-2-yl]ethyl]-5,6-dimethyl-1H-inden-1-yl]-4-(trifluoromethyl)phenol;zirconium is sourced from PubChem (CID 22676304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).