2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C41H52N6O2 — CID 153323444

About 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 153323444) has the molecular formula C41H52N6O2 and a molecular weight of 660.91 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• PubChem CID: 153323444
• Molecular Formula: C41H52N6O2
• Molecular Weight: 660.91 g/mol
• Exact Mass: 660.42
• IUPAC Name: 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• SMILES: CC(C)(C)CC(C)(C)c1cc(CC2(C(C)(C)CC(C)(C)C)C=C(n3nc4ccccc4n3)C(O)=CC2)c(O)c(-n2nc3ccccc3n2)c1
• InChI: InChI=1S/C41H52N6O2/c1-37(2,3)25-39(7,8)28-21-27(36(49)33(22-28)46-42-29-15-11-12-16-30(29)43-46)23-41(40(9,10)26-38(4,5)6)20-19-35(48)34(24-41)47-44-31-17-13-14-18-32(31)45-47/h11-19,21-22,24,48-49H,20,23,25-26H2,1-10H3
• InChIKey: FYFDJZAGWMWDOK-UHFFFAOYSA-N
• XLogP: 9.96
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.91
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The IUPAC name of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 153323444) is 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The canonical SMILES for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(CC2(C(C)(C)CC(C)(C)C)C=C(n3nc4ccccc4n3)C(O)=CC2)c(O)c(-n2nc3ccccc3n2)c1.

What is the InChIKey of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The InChIKey is FYFDJZAGWMWDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52N6O2/c1-37(2,3)25-39(7,8)28-21-27(36(49)33(22-28)46-42-29-15-11-12-16-30(29)43-46)23-41(40(9,10)26-38(4,5)6)20-19-35(48)34(24-41)47-44-31-17-13-14-18-32(31)45-47/h11-19,21-22,24,48-49H,20,23,25-26H2,1-10H3.

What are the key properties of 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 660.91 g/mol, XLogP of 9.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-4-hydroxy-1-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 153323444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).