6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid

C26H28N2O2 — CID 10668711

About 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid

6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid (PubChem CID 10668711) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid
• PubChem CID: 10668711
• Molecular Formula: C26H28N2O2
• Molecular Weight: 400.52 g/mol
• Exact Mass: 400.22
• IUPAC Name: 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid
• SMILES: CC1(C)CCC(C)(C)c2cc(/C(=N\N)c3ccc4cc(C(=O)O)ccc4c3)ccc21
• InChI: InChI=1S/C26H28N2O2/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(28-27)18-7-5-17-14-20(24(29)30)8-6-16(17)13-18/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30)/b28-23-
• InChIKey: BZKPZJRFQBJMJF-NFFVHWSESA-N
• XLogP: 5.60
• TPSA: 75.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.52
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid?

The IUPAC name of 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid (CID 10668711) is 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid.

What is the SMILES notation for 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid?

The canonical SMILES for 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid is CC1(C)CCC(C)(C)c2cc(/C(=N\N)c3ccc4cc(C(=O)O)ccc4c3)ccc21.

What is the InChIKey of 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid?

The InChIKey is BZKPZJRFQBJMJF-NFFVHWSESA-N. The full InChI is InChI=1S/C26H28N2O2/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(28-27)18-7-5-17-14-20(24(29)30)8-6-16(17)13-18/h5-10,13-15H,11-12,27H2,1-4H3,(H,29,30)/b28-23-.

What are the key properties of 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid?

6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid has a molecular weight of 400.52 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonohydrazonoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 10668711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).