2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine

C55H44N2 — CID 134361159

IUPAC2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCC1(C2=CC=CCC2)CC(c2ccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c3c2)=CC(c2ccccc2)C1
InChIInChI=1S/C55H44N2/c1-55(46-16-6-3-7-17-46)36-44(38-14-4-2-5-15-38)34-45(37-55)43-30-31-49-50(35-43)54(42-28-24-40(25-29-42)52-21-11-13-33-57-52)48-19-9-8-18-47(48)53(49)41-26-22-39(23-27-41)51-20-10-12-32-56-51/h2-6,8-16,18-35,44H,7,17,36-37H2,1H3
InChIKeyAXUZADAVXWDIGB-UHFFFAOYSA-N
MW732.97 g/mol
LogP14.69
Rot. Bonds7

About 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine

2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 134361159) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
PubChem CID134361159
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC Name2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESCC1(C2=CC=CCC2)CC(c2ccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c3c2)=CC(c2ccccc2)C1
InChIInChI=1S/C55H44N2/c1-55(46-16-6-3-7-17-46)36-44(38-14-4-2-5-15-38)34-45(37-55)43-30-31-49-50(35-43)54(42-28-24-40(25-29-42)52-21-11-13-33-57-52)48-19-9-8-18-47(48)53(49)41-26-22-39(23-27-41)51-20-10-12-32-56-51/h2-6,8-16,18-35,44H,7,17,36-37H2,1H3
InChIKeyAXUZADAVXWDIGB-UHFFFAOYSA-N
XLogP14.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine 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-[4-[10-[4-(3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 146232865
2-[3-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(5-pyridin-2-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]phenyl]pyridine
CID 167282117
2-[4-[10-[4-(3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-(5,6-dimethylcyclohex-2-en-1-yl)-4-methyl-3-phenylcyclohepta-1,6-dien-1-yl]anthracen-9-yl]phenyl]pyridine
CID 129310734
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol
CID 153103344
2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 130453294
2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 129305562
2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine
CID 167110101
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-cyclohexa-1,3-dien-1-ylpyridine;ethane
CID 177335848
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine (CID 134361159) is 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine is CC1(C2=CC=CCC2)CC(c2ccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c3c2)=CC(c2ccccc2)C1.
What is the InChIKey of 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is AXUZADAVXWDIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-55(46-16-6-3-7-17-46)36-44(38-14-4-2-5-15-38)34-45(37-55)43-30-31-49-50(35-43)54(42-28-24-40(25-29-42)52-21-11-13-33-57-52)48-19-9-8-18-47(48)53(49)41-26-22-39(23-27-41)51-20-10-12-32-56-51/h2-6,8-16,18-35,44H,7,17,36-37H2,1H3.
What are the key properties of 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?
2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 732.97 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 134361159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).