1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide

C30H14N4O10 — CID 6115087

About 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide

1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide (PubChem CID 6115087) has the molecular formula C30H14N4O10 and a molecular weight of 590.46 g/mol. Its IUPAC name is 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide.

Molecular Properties

• Compound Name: 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide
• PubChem CID: 6115087
• Molecular Formula: C30H14N4O10
• Molecular Weight: 590.46 g/mol
• Exact Mass: 590.07
• IUPAC Name: 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide
• SMILES: O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NNC(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)c2[N+](=O)[O-]
• InChI: InChI=1S/C30H14N4O10/c35-25-13-5-1-3-7-15(13)27(37)21-17(25)9-11-19(23(21)33(41)42)29(39)31-32-30(40)20-12-10-18-22(24(20)34(43)44)28(38)16-8-4-2-6-14(16)26(18)36/h1-12H,(H,31,39)(H,32,40)
• InChIKey: HRKJWVBTIZPZJV-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 212.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.46
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'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-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide?

The IUPAC name of 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide (CID 6115087) is 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide.

What is the SMILES notation for 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide?

The canonical SMILES for 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide is O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NNC(=O)c1ccc3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=O)c2[N+](=O)[O-].

What is the InChIKey of 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide?

The InChIKey is HRKJWVBTIZPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14N4O10/c35-25-13-5-1-3-7-15(13)27(37)21-17(25)9-11-19(23(21)33(41)42)29(39)31-32-30(40)20-12-10-18-22(24(20)34(43)44)28(38)16-8-4-2-6-14(16)26(18)36/h1-12H,(H,31,39)(H,32,40).

What are the key properties of 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide?

1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide has a molecular weight of 590.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide is sourced from PubChem (CID 6115087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).