(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine

C27H38BN3O2 — CID 59807011

About (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine

(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine (PubChem CID 59807011) has the molecular formula C27H38BN3O2 and a molecular weight of 447.43 g/mol. Its IUPAC name is (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine.

Molecular Properties

• Compound Name: (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine
• PubChem CID: 59807011
• Molecular Formula: C27H38BN3O2
• Molecular Weight: 447.43 g/mol
• Exact Mass: 447.31
• IUPAC Name: (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine
• SMILES: Cc1cc2c(cc1/C(=N/N)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C27H38BN3O2/c1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(31-29)22-11-10-18(16-30-22)28-32-26(6,7)27(8,9)33-28/h10-11,14-16H,12-13,29H2,1-9H3/b31-23-
• InChIKey: DSVZTPYRFJIAKD-SXBRIOAWSA-N
• XLogP: 4.75
• TPSA: 69.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.43
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine?

The IUPAC name of (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine (CID 59807011) is (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine.

What is the SMILES notation for (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine?

The canonical SMILES for (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine is Cc1cc2c(cc1/C(=N/N)c1ccc(B3OC(C)(C)C(C)(C)O3)cn1)C(C)(C)CCC2(C)C.

What is the InChIKey of (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine?

The InChIKey is DSVZTPYRFJIAKD-SXBRIOAWSA-N. The full InChI is InChI=1S/C27H38BN3O2/c1-17-14-20-21(25(4,5)13-12-24(20,2)3)15-19(17)23(31-29)22-11-10-18(16-30-22)28-32-26(6,7)27(8,9)33-28/h10-11,14-16H,12-13,29H2,1-9H3/b31-23-.

What are the key properties of (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine?

(Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine has a molecular weight of 447.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methylidene]hydrazine is sourced from PubChem (CID 59807011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).