4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine

C36H27N5 — CID 145117212

IUPAC4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine
SMILESNc1cccc(-c2ccccn2)n1.[H]/N=C1/C=C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)C=C/C1=N\[H]
InChIInChI=1S/C26H18N2.C10H9N3/c27-23-15-14-18(16-24(23)28)26-21-12-6-4-10-19(21)25(17-8-2-1-3-9-17)20-11-5-7-13-22(20)26;11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-16,27-28H;1-7H,(H2,11,13)/b27-23+,28-24-;
InChIKeyYQEZBDISAARJAQ-QMDBCWCCSA-N
MW529.65 g/mol
LogP8.38
Rot. Bonds3

About 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine

4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine (PubChem CID 145117212) has the molecular formula C36H27N5 and a molecular weight of 529.65 g/mol. Its IUPAC name is 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine
PubChem CID145117212
Molecular FormulaC36H27N5
Molecular Weight529.65 g/mol
Exact Mass529.23
IUPAC Name4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine
SMILESNc1cccc(-c2ccccn2)n1.[H]/N=C1/C=C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)C=C/C1=N\[H]
InChIInChI=1S/C26H18N2.C10H9N3/c27-23-15-14-18(16-24(23)28)26-21-12-6-4-10-19(21)25(17-8-2-1-3-9-17)20-11-5-7-13-22(20)26;11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-16,27-28H;1-7H,(H2,11,13)/b27-23+,28-24-;
InChIKeyYQEZBDISAARJAQ-QMDBCWCCSA-N
XLogP8.38
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 58.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine 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

Mw-150
CID 86270361
6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine
CID 4369379
Isoquinoline, 1-amino-3-(2-pyridyl)-
CID 217000
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
(S)-6-(2-Amino-2-(3-(2-(4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659115
3-(Naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine
CID 121317271
N~3~-(3-Pyridin-3-ylbenzyl)pyridine-2,3-diamine
CID 11701820
5-[4-(6-Carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide
CID 24752183
N-[3-(2-pyridyl)-1-isoquinolyl]benzamidine
CID 463105
N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
CID 463108

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine (CID 145117212) is 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine is Nc1cccc(-c2ccccn2)n1.[H]/N=C1/C=C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)C=C/C1=N\[H].
What is the InChIKey of 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine?
The InChIKey is YQEZBDISAARJAQ-QMDBCWCCSA-N. The full InChI is InChI=1S/C26H18N2.C10H9N3/c27-23-15-14-18(16-24(23)28)26-21-12-6-4-10-19(21)25(17-8-2-1-3-9-17)20-11-5-7-13-22(20)26;11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-16,27-28H;1-7H,(H2,11,13)/b27-23+,28-24-;.
What are the key properties of 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine?
4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine has a molecular weight of 529.65 g/mol, XLogP of 8.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine;6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 145117212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).