2-[(E)-phenanthren-9-ylmethylideneamino]guanidine

C16H14N4 — CID 45481167

IUPAC2-[(E)-phenanthren-9-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H14N4/c17-16(18)20-19-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H,(H4,17,18,20)/b19-10+
InChIKeyFBVSIQQDUNLHOT-VXLYETTFSA-N
MW262.32 g/mol
LogP2.60
Rot. Bonds2

About 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine

2-[(E)-phenanthren-9-ylmethylideneamino]guanidine (PubChem CID 45481167) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-phenanthren-9-ylmethylideneamino]guanidine
PubChem CID45481167
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-[(E)-phenanthren-9-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H14N4/c17-16(18)20-19-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H,(H4,17,18,20)/b19-10+
InChIKeyFBVSIQQDUNLHOT-VXLYETTFSA-N
XLogP2.60
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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_3', 'substructure': 'N/A'}

Analyze 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine 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

2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904
2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
CID 164715497
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 135549556
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
2-[[2-(3,4-dimethylphenyl)phenyl]methylideneamino]guanidine
CID 168590536
2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
CID 168590573
2-[(E)-[5-methoxy-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
CID 164715495
2-[(E)-[5-chloro-1-(naphthalene-1-carbonyl)indol-3-yl]methylideneamino]guanidine;hydrochloride
CID 154998770
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine?
The IUPAC name of 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine (CID 45481167) is 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine is NC(N)=N/N=C/c1cc2ccccc2c2ccccc12.
What is the InChIKey of 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine?
The InChIKey is FBVSIQQDUNLHOT-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14N4/c17-16(18)20-19-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H,(H4,17,18,20)/b19-10+.
What are the key properties of 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine?
2-[(E)-phenanthren-9-ylmethylideneamino]guanidine has a molecular weight of 262.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-phenanthren-9-ylmethylideneamino]guanidine is sourced from PubChem (CID 45481167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).