2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C42H54N6O2 — CID 145203335

About 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 145203335) has the molecular formula C42H54N6O2 and a molecular weight of 674.93 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• PubChem CID: 145203335
• Molecular Formula: C42H54N6O2
• Molecular Weight: 674.93 g/mol
• Exact Mass: 674.43
• IUPAC Name: 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
• SMILES: C=C(Cc1cc(C(C)(C)CC(C)(C)C)cc(-n2nc3ccccc3n2)c1O)/C(O)=C(\C=C(/C)C(C)(C)CC(C)(C)C)n1nc2ccccc2n1
• InChI: InChI=1S/C42H54N6O2/c1-27(37(49)35(22-28(2)41(9,10)25-39(3,4)5)47-43-31-17-13-14-18-32(31)44-47)21-29-23-30(42(11,12)26-40(6,7)8)24-36(38(29)50)48-45-33-19-15-16-20-34(33)46-48/h13-20,22-24,49-50H,1,21,25-26H2,2-12H3/b28-22+,37-35-
• InChIKey: HAQNYFORJFWAPE-JGOIJAJJSA-N
• XLogP: 10.52
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.93
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The IUPAC name of 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 145203335) is 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The canonical SMILES for 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is C=C(Cc1cc(C(C)(C)CC(C)(C)C)cc(-n2nc3ccccc3n2)c1O)/C(O)=C(\C=C(/C)C(C)(C)CC(C)(C)C)n1nc2ccccc2n1.

What is the InChIKey of 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

The InChIKey is HAQNYFORJFWAPE-JGOIJAJJSA-N. The full InChI is InChI=1S/C42H54N6O2/c1-27(37(49)35(22-28(2)41(9,10)25-39(3,4)5)47-43-31-17-13-14-18-32(31)44-47)21-29-23-30(42(11,12)26-40(6,7)8)24-36(38(29)50)48-45-33-19-15-16-20-34(33)46-48/h13-20,22-24,49-50H,1,21,25-26H2,2-12H3/b28-22+,37-35-.

What are the key properties of 2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?

2-(benzotriazol-2-yl)-6-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 674.93 g/mol, XLogP of 10.52, 10 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-[(3Z,5E)-4-(benzotriazol-2-yl)-3-hydroxy-6,7,7,9,9-pentamethyl-2-methylidenedeca-3,5-dienyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 145203335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).