2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride

C18H20Cl2N8 — CID 23471429

IUPAC2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=N/N=C/c1c2ccccc2c(/C=N/N=C(N)N)c2ccccc12
InChIInChI=1S/C18H18N8.2ClH/c19-17(20)25-23-9-15-11-5-1-2-6-12(11)16(10-24-26-18(21)22)14-8-4-3-7-13(14)15;;/h1-10H,(H4,19,20,25)(H4,21,22,26);2*1H/b23-9+,24-10+;;
InChIKeyDROREHSASOXDSZ-UFJPKIAQSA-N
MW419.32 g/mol
LogP2.05
Rot. Bonds4

About 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride

2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride (PubChem CID 23471429) has the molecular formula C18H20Cl2N8 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride
PubChem CID23471429
Molecular FormulaC18H20Cl2N8
Molecular Weight419.32 g/mol
Exact Mass418.12
IUPAC Name2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=N/N=C/c1c2ccccc2c(/C=N/N=C(N)N)c2ccccc12
InChIInChI=1S/C18H18N8.2ClH/c19-17(20)25-23-9-15-11-5-1-2-6-12(11)16(10-24-26-18(21)22)14-8-4-3-7-13(14)15;;/h1-10H,(H4,19,20,25)(H4,21,22,26);2*1H/b23-9+,24-10+;;
InChIKeyDROREHSASOXDSZ-UFJPKIAQSA-N
XLogP2.05
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride?
The IUPAC name of 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride (CID 23471429) is 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride.
What is the SMILES notation for 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride?
The canonical SMILES for 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride is Cl.Cl.NC(N)=N/N=C/c1c2ccccc2c(/C=N/N=C(N)N)c2ccccc12.
What is the InChIKey of 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride?
The InChIKey is DROREHSASOXDSZ-UFJPKIAQSA-N. The full InChI is InChI=1S/C18H18N8.2ClH/c19-17(20)25-23-9-15-11-5-1-2-6-12(11)16(10-24-26-18(21)22)14-8-4-3-7-13(14)15;;/h1-10H,(H4,19,20,25)(H4,21,22,26);2*1H/b23-9+,24-10+;;.
What are the key properties of 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride?
2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride has a molecular weight of 419.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[10-[(E)-(diaminomethylidenehydrazinylidene)methyl]anthracen-9-yl]methylideneamino]guanidine;dihydrochloride is sourced from PubChem (CID 23471429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).