anthracene-9,10-dicarbohydrazide

C16H14N4O2 — CID 139611931

IUPACanthracene-9,10-dicarbohydrazide
SMILESNNC(=O)c1c2ccccc2c(C(=O)NN)c2ccccc12
InChIInChI=1S/C16H14N4O2/c17-19-15(21)13-9-5-1-2-6-10(9)14(16(22)20-18)12-8-4-3-7-11(12)13/h1-8H,17-18H2,(H,19,21)(H,20,22)
InChIKeyIGKBISGARKCOMS-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.20
Rot. Bonds2

About anthracene-9,10-dicarbohydrazide

anthracene-9,10-dicarbohydrazide (PubChem CID 139611931) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is anthracene-9,10-dicarbohydrazide.

Molecular Properties

Compound Nameanthracene-9,10-dicarbohydrazide
PubChem CID139611931
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Nameanthracene-9,10-dicarbohydrazide
SMILESNNC(=O)c1c2ccccc2c(C(=O)NN)c2ccccc12
InChIInChI=1S/C16H14N4O2/c17-19-15(21)13-9-5-1-2-6-10(9)14(16(22)20-18)12-8-4-3-7-11(12)13/h1-8H,17-18H2,(H,19,21)(H,20,22)
InChIKeyIGKBISGARKCOMS-UHFFFAOYSA-N
XLogP1.20
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dicarbohydrazide?
The IUPAC name of anthracene-9,10-dicarbohydrazide (CID 139611931) is anthracene-9,10-dicarbohydrazide.
What is the SMILES notation for anthracene-9,10-dicarbohydrazide?
The canonical SMILES for anthracene-9,10-dicarbohydrazide is NNC(=O)c1c2ccccc2c(C(=O)NN)c2ccccc12.
What is the InChIKey of anthracene-9,10-dicarbohydrazide?
The InChIKey is IGKBISGARKCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-19-15(21)13-9-5-1-2-6-10(9)14(16(22)20-18)12-8-4-3-7-11(12)13/h1-8H,17-18H2,(H,19,21)(H,20,22).
What are the key properties of anthracene-9,10-dicarbohydrazide?
anthracene-9,10-dicarbohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dicarbohydrazide is sourced from PubChem (CID 139611931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).