2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))

C156H132Cl4N12O12Zr4 — CID 158746966

IUPAC2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))
SMILESC.C.C.C.CC(C)(C)c1cc(-c2c3ccccc3cc3ccccc23)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.CC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(-c2ccccc2-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/C30H24ClN3O.C25H18ClN3O.C22H20ClN3O.C19H14ClN3O.8C7H5O.4CH4.4Zr/c1-30(2,3)20-15-24(28-22-10-6-4-8-18(22)14-19-9-5-7-11-23(19)28)29(35)27(16-20)34-32-25-13-12-21(31)17-26(25)33-34;1-16-13-21(20-10-6-5-9-19(20)17-7-3-2-4-8-17)25(30)24(14-16)29-27-22-12-11-18(26)15-23(22)28-29;1-22(2,3)15-11-17(14-7-5-4-6-8-14)21(27)20(12-15)26-24-18-10-9-16(23)13-19(18)25-26;1-12-9-15(13-5-3-2-4-6-13)19(24)18(10-12)23-21-16-8-7-14(20)11-17(16)22-23;8*8-6-7-4-2-1-3-5-7;;;;;;;;/h4-17,35H,1-3H3;2-15,30H,1H3;4-13,27H,1-3H3;2-11,24H,1H3;8*1-5H;4*1H4;;;;/q;;;;8*-1;;;;;4*+2
InChIKeyBNFWTFLENVCKFF-UHFFFAOYSA-N
MW2873.55 g/mol
LogP36.66
Rot. Bonds17

About 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))

2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)) (PubChem CID 158746966) has the molecular formula C156H132Cl4N12O12Zr4 and a molecular weight of 2873.55 g/mol. Its IUPAC name is 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)).

Molecular Properties

Compound Name2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))
PubChem CID158746966
Molecular FormulaC156H132Cl4N12O12Zr4
Molecular Weight2873.55 g/mol
Exact Mass2864.50
IUPAC Name2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))
SMILESC.C.C.C.CC(C)(C)c1cc(-c2c3ccccc3cc3ccccc23)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.CC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(-c2ccccc2-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.[Zr+2].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/C30H24ClN3O.C25H18ClN3O.C22H20ClN3O.C19H14ClN3O.8C7H5O.4CH4.4Zr/c1-30(2,3)20-15-24(28-22-10-6-4-8-18(22)14-19-9-5-7-11-23(19)28)29(35)27(16-20)34-32-25-13-12-21(31)17-26(25)33-34;1-16-13-21(20-10-6-5-9-19(20)17-7-3-2-4-8-17)25(30)24(14-16)29-27-22-12-11-18(26)15-23(22)28-29;1-22(2,3)15-11-17(14-7-5-4-6-8-14)21(27)20(12-15)26-24-18-10-9-16(23)13-19(18)25-26;1-12-9-15(13-5-3-2-4-6-13)19(24)18(10-12)23-21-16-8-7-14(20)11-17(16)22-23;8*8-6-7-4-2-1-3-5-7;;;;;;;;/h4-17,35H,1-3H3;2-15,30H,1H3;4-13,27H,1-3H3;2-11,24H,1H3;8*1-5H;4*1H4;;;;/q;;;;8*-1;;;;;4*+2
InChIKeyBNFWTFLENVCKFF-UHFFFAOYSA-N
XLogP36.66
TPSA340.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002873.55
LogP ≤ 536.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)) with MolForge

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Related Compounds

2-anthracen-9-yl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methoxyphenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol
CID 158624938
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol;2-(5-chlorobenzotriazol-2-yl)-4-(2,6-dimethylphenyl)sulfanyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-naphthalen-1-ylphenol;2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 158498505
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
3-[4-[5-tert-butyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]phenyl]-N-(2-hydroxyethyl)propanamide
CID 137390704
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol;2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-tert-butyl-2-[[5-tert-butyl-2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-6-(5-methylbenzotriazol-2-yl)phenol;2-(5-chlorobenzotriazol-2-yl)-6-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenol;2-(5-chlorobenzotriazol-2-yl)-6-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159197986
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087
1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]ethanone
CID 66970050
2-tert-butyl-4-methyl-6-[5-(2-phenylpropan-2-yl)benzotriazol-2-yl]phenol
CID 14204972
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 22165805
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(1-hydroxypropyl)phenol
CID 22644207

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))?
The IUPAC name of 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)) (CID 158746966) is 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)).
What is the SMILES notation for 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))?
The canonical SMILES for 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)) is C.C.C.C.CC(C)(C)c1cc(-c2c3ccccc3cc3ccccc23)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.CC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.Cc1cc(-c2ccccc2-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.O=[C-]c1ccccc1.[Zr+2].[Zr+2].[Zr+2].[Zr+2].
What is the InChIKey of 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))?
The InChIKey is BNFWTFLENVCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O.C25H18ClN3O.C22H20ClN3O.C19H14ClN3O.8C7H5O.4CH4.4Zr/c1-30(2,3)20-15-24(28-22-10-6-4-8-18(22)14-19-9-5-7-11-23(19)28)29(35)27(16-20)34-32-25-13-12-21(31)17-26(25)33-34;1-16-13-21(20-10-6-5-9-19(20)17-7-3-2-4-8-17)25(30)24(14-16)29-27-22-12-11-18(26)15-23(22)28-29;1-22(2,3)15-11-17(14-7-5-4-6-8-14)21(27)20(12-15)26-24-18-10-9-16(23)13-19(18)25-26;1-12-9-15(13-5-3-2-4-6-13)19(24)18(10-12)23-21-16-8-7-14(20)11-17(16)22-23;8*8-6-7-4-2-1-3-5-7;;;;;;;;/h4-17,35H,1-3H3;2-15,30H,1H3;4-13,27H,1-3H3;2-11,24H,1H3;8*1-5H;4*1H4;;;;/q;;;;8*-1;;;;;4*+2.
What are the key properties of 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+))?
2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)) has a molecular weight of 2873.55 g/mol, XLogP of 36.66, 17 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol;4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol;2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol;methane;phenylmethanone;tetrakis(zirconium(2+)) is sourced from PubChem (CID 158746966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).