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

C110H88Cl5N15O6 — CID 158624938

About 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

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 (PubChem CID 158624938) has the molecular formula C110H88Cl5N15O6 and a molecular weight of 1893.28 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158624938
• Molecular Formula: C110H88Cl5N15O6
• Molecular Weight: 1893.28 g/mol
• Exact Mass: 1889.55
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.COc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.Cc1cc(-c2c3ccccc3cc3ccccc23)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
• InChI: InChI=1S/C27H18ClN3O.C25H18ClN3O.C22H20ClN3O.C19H14ClN3O.C17H18ClN3O2/c1-16-12-22(26-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)26)27(32)25(13-16)31-29-23-11-10-19(28)15-24(23)30-31;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;1-17(2,3)12-8-11(23-4)9-15(16(12)22)21-19-13-6-5-10(18)7-14(13)20-21/h2-15,32H,1H3;2-15,30H,1H3;4-13,27H,1-3H3;2-11,24H,1H3;5-9,22H,1-4H3
• InChIKey: HYLWMUQGKQUPJI-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 263.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.28
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.COc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.Cc1cc(-c2c3ccccc3cc3ccccc23)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.

What is the InChIKey of 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?

The InChIKey is HYLWMUQGKQUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3O.C25H18ClN3O.C22H20ClN3O.C19H14ClN3O.C17H18ClN3O2/c1-16-12-22(26-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)26)27(32)25(13-16)31-29-23-11-10-19(28)15-24(23)30-31;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;1-17(2,3)12-8-11(23-4)9-15(16(12)22)21-19-13-6-5-10(18)7-14(13)20-21/h2-15,32H,1H3;2-15,30H,1H3;4-13,27H,1-3H3;2-11,24H,1H3;5-9,22H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 1893.28 g/mol, XLogP of 28.07, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158624938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).