2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid

C155H170N6O5S4 — CID 159247830

IUPAC2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)cc1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4N)nc23)cc1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4O)nc23)cc1.Cc1c(-c2nc3c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc3s2)ccc2ccccc12
InChIInChI=1S/C46H52N2OS.C32H33NS.C31H32N2S.C31H31NOS.C15H22O3/c1-43(2,3)31-20-17-29(18-21-31)36-24-33(45(7,8)9)26-38-40(36)48-42(50-38)35-22-19-28-15-13-14-16-34(28)39(35)47-27-30-23-32(44(4,5)6)25-37(41(30)49)46(10,11)12;1-20-25-11-9-8-10-21(25)14-17-26(20)30-33-29-27(18-24(32(5,6)7)19-28(29)34-30)22-12-15-23(16-13-22)31(2,3)4;1-30(2,3)21-14-11-20(12-15-21)25-17-22(31(4,5)6)18-26-28(25)33-29(34-26)24-16-13-19-9-7-8-10-23(19)27(24)32;1-30(2,3)21-14-11-20(12-15-21)25-17-22(31(4,5)6)18-26-27(25)32-29(34-26)24-16-13-19-9-7-8-10-23(19)28(24)33;1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h13-27,49H,1-12H3;8-19H,1-7H3;7-18H,32H2,1-6H3;7-18,33H,1-6H3;7-8,16H,1-6H3,(H,17,18)/b47-27+;;;;
InChIKeyKUXFQFULSNUUFQ-RGMNEJPISA-N
MW2325.37 g/mol
LogP44.85
Rot. Bonds11

About 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid

2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid (PubChem CID 159247830) has the molecular formula C155H170N6O5S4 and a molecular weight of 2325.37 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid
PubChem CID159247830
Molecular FormulaC155H170N6O5S4
Molecular Weight2325.37 g/mol
Exact Mass2323.21
IUPAC Name2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)cc1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4N)nc23)cc1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4O)nc23)cc1.Cc1c(-c2nc3c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc3s2)ccc2ccccc12
InChIInChI=1S/C46H52N2OS.C32H33NS.C31H32N2S.C31H31NOS.C15H22O3/c1-43(2,3)31-20-17-29(18-21-31)36-24-33(45(7,8)9)26-38-40(36)48-42(50-38)35-22-19-28-15-13-14-16-34(28)39(35)47-27-30-23-32(44(4,5)6)25-37(41(30)49)46(10,11)12;1-20-25-11-9-8-10-21(25)14-17-26(20)30-33-29-27(18-24(32(5,6)7)19-28(29)34-30)22-12-15-23(16-13-22)31(2,3)4;1-30(2,3)21-14-11-20(12-15-21)25-17-22(31(4,5)6)18-26-28(25)33-29(34-26)24-16-13-19-9-7-8-10-23(19)27(24)32;1-30(2,3)21-14-11-20(12-15-21)25-17-22(31(4,5)6)18-26-27(25)32-29(34-26)24-16-13-19-9-7-8-10-23(19)28(24)33;1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h13-27,49H,1-12H3;8-19H,1-7H3;7-18H,32H2,1-6H3;7-18,33H,1-6H3;7-8,16H,1-6H3,(H,17,18)/b47-27+;;;;
InChIKeyKUXFQFULSNUUFQ-RGMNEJPISA-N
XLogP44.85
TPSA187.93 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.37
LogP ≤ 544.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[6-tert-butyl-2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzothiazol-4-yl]phenyl]benzonitrile;3,5-ditert-butyl-2-hydroxybenzaldehyde
CID 161235720
2-(6-tert-butyl-4-phenyl-1,3-benzothiazol-2-yl)aniline;2-[[2-(6-tert-butyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-(3,5-dimethylphenyl)phenol;5-(3,5-dimethylphenyl)-2-hydroxybenzaldehyde
CID 161157093
4-tert-butyl-2-[[2-[6-tert-butyl-4-[4-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;4-[4-[6-tert-butyl-2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-1,3-benzothiazol-4-yl]benzene-5-id-1-yl]benzonitrile;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-phenanthren-9-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
CID 158312856
6-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-(2-methylphenyl)-1,3-benzothiazole
CID 158153460
2-tert-butyl-6-[[2-(4,6-dinaphthalen-1-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-iodophenol
CID 138712027
5-tert-butyl-3-(4-tert-butylphenyl)-2-hydroxybenzoic acid
CID 19832850
2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-dibenzofuran-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-dibenzofuran-4-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
CID 159900706
2-[6-butyl-4-(4-iodophenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol
CID 138712469
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
2-tert-butyl-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-4-tritylphenol
CID 137234453
4-[5-[3,4-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-2,7-ditert-butyl-9,9-dimethylxanthen-4-yl]benzoic acid
CID 136734668

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid?
The IUPAC name of 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid (CID 159247830) is 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid.
What is the SMILES notation for 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid?
The canonical SMILES for 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid is CC(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)nc23)cc1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4N)nc23)cc1.CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc3sc(-c4ccc5ccccc5c4O)nc23)cc1.Cc1c(-c2nc3c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc3s2)ccc2ccccc12.
What is the InChIKey of 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid?
The InChIKey is KUXFQFULSNUUFQ-RGMNEJPISA-N. The full InChI is InChI=1S/C46H52N2OS.C32H33NS.C31H32N2S.C31H31NOS.C15H22O3/c1-43(2,3)31-20-17-29(18-21-31)36-24-33(45(7,8)9)26-38-40(36)48-42(50-38)35-22-19-28-15-13-14-16-34(28)39(35)47-27-30-23-32(44(4,5)6)25-37(41(30)49)46(10,11)12;1-20-25-11-9-8-10-21(25)14-17-26(20)30-33-29-27(18-24(32(5,6)7)19-28(29)34-30)22-12-15-23(16-13-22)31(2,3)4;1-30(2,3)21-14-11-20(12-15-21)25-17-22(31(4,5)6)18-26-28(25)33-29(34-26)24-16-13-19-9-7-8-10-23(19)27(24)32;1-30(2,3)21-14-11-20(12-15-21)25-17-22(31(4,5)6)18-26-27(25)32-29(34-26)24-16-13-19-9-7-8-10-23(19)28(24)33;1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h13-27,49H,1-12H3;8-19H,1-7H3;7-18H,32H2,1-6H3;7-18,33H,1-6H3;7-8,16H,1-6H3,(H,17,18)/b47-27+;;;;.
What are the key properties of 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid?
2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid has a molecular weight of 2325.37 g/mol, XLogP of 44.85, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-amine;2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-ol;6-tert-butyl-4-(4-tert-butylphenyl)-2-(1-methylnaphthalen-2-yl)-1,3-benzothiazole;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(4-tert-butylphenyl)-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]phenol;3,5-ditert-butyl-2-hydroxybenzoic acid is sourced from PubChem (CID 159247830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).