(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium

C16H15N4+ — CID 11862164

IUPAC(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium
SMILESNC(N)=N/[NH+]=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14N4/c17-16(18)20-19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H4,17,18,20)/p+1/b19-10-
InChIKeyDQGPLSQWZKWKPW-GRSHGNNSSA-O
MW263.32 g/mol
LogP0.68
Rot. Bonds2

About (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium

(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium (PubChem CID 11862164) has the molecular formula C16H15N4+ and a molecular weight of 263.32 g/mol. Its IUPAC name is (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium.

Molecular Properties

Compound Name(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium
PubChem CID11862164
Molecular FormulaC16H15N4+
Molecular Weight263.32 g/mol
Exact Mass263.13
IUPAC Name(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium
SMILESNC(N)=N/[NH+]=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H14N4/c17-16(18)20-19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H4,17,18,20)/p+1/b19-10-
InChIKeyDQGPLSQWZKWKPW-GRSHGNNSSA-O
XLogP0.68
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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'}

Analyze (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
4-anthracen-9-ylbut-3-enamide
CID 170798903
9-(2-methylprop-1-enyl)anthracene
CID 59708728
(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-[(2-hydroxynaphthalen-1-yl)methylidene]azanium
CID 135804420
2-(anthracen-9-ylmethylideneazaniumyl)phenolate;lithium(1-)
CID 140578553
2-[(E)-phenanthren-9-ylmethylideneamino]guanidine
CID 45481167
3-(anthracen-9-ylmethylideneamino)propan-1-ol
CID 4598040
2-(anthracen-9-ylmethyl)guanidine;hydrochloride
CID 24749470
9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
CID 101210227
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
CID 102394494

Frequently Asked Questions

What is the IUPAC name of (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium?
The IUPAC name of (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium (CID 11862164) is (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium.
What is the SMILES notation for (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium?
The canonical SMILES for (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium is NC(N)=N/[NH+]=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium?
The InChIKey is DQGPLSQWZKWKPW-GRSHGNNSSA-O. The full InChI is InChI=1S/C16H14N4/c17-16(18)20-19-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H4,17,18,20)/p+1/b19-10-.
What are the key properties of (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium?
(Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium has a molecular weight of 263.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-anthracen-9-ylmethylidene-(diaminomethylideneamino)azanium is sourced from PubChem (CID 11862164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).