1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine

C₂₄H₁₄N₈O₁₂ — CID 172790717

About 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine

1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine (PubChem CID 172790717) has the molecular formula C₂₄H₁₄N₈O₁₂ and a molecular weight of 606.42 g/mol. Its IUPAC name is 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine.

Molecular Properties

• Compound Name: 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
• PubChem CID: 172790717
• Molecular Formula: C₂₄H₁₄N₈O₁₂
• Molecular Weight: 606.42 g/mol
• Exact Mass: 606.07
• IUPAC Name: 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
• SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(N(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
• InChI: InChI=1S/C24H14N8O12/c33-27(34)17-11-19(29(37)38)23(20(12-17)30(39)40)26(25(15-7-3-1-4-8-15)16-9-5-2-6-10-16)24-21(31(41)42)13-18(28(35)36)14-22(24)32(43)44/h1-14H
• InChIKey: PNLWPJAXPHWSNG-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 265.32 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	606.42
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?

The IUPAC name of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine (CID 172790717) is 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine.

What is the SMILES notation for 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?

The canonical SMILES for 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine is O=[N+]([O-])c1cc([N+](=O)[O-])c(N(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.

What is the InChIKey of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?

The InChIKey is PNLWPJAXPHWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N8O12/c33-27(34)17-11-19(29(37)38)23(20(12-17)30(39)40)26(25(15-7-3-1-4-8-15)16-9-5-2-6-10-16)24-21(31(41)42)13-18(28(35)36)14-22(24)32(43)44/h1-14H.

What are the key properties of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?

1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine has a molecular weight of 606.42 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine is sourced from PubChem (CID 172790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172790717 — identifiers, structure, computed properties (public domain)

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