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

C56H44N2 — CID 170063372

IUPAC2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
SMILESCC1Cc2c(c(-c3ccc(-c4ccccn4)cc3)c3ccccc3c2-c2ccc(-c3ccccn3)cc2)C=C1C1=CC(C)(c2ccccc2)CC(c2ccccc2)=C1
InChIInChI=1S/C56H44N2/c1-38-33-50-51(35-49(38)45-34-44(39-15-5-3-6-16-39)36-56(2,37-45)46-17-7-4-8-18-46)55(43-29-25-41(26-30-43)53-22-12-14-32-58-53)48-20-10-9-19-47(48)54(50)42-27-23-40(24-28-42)52-21-11-13-31-57-52/h3-32,34-35,37-38H,33,36H2,1-2H3
InChIKeyYODZMLVMHOYSOM-UHFFFAOYSA-N
MW744.98 g/mol
LogP14.24
Rot. Bonds7

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

2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine (PubChem CID 170063372) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
PubChem CID170063372
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
SMILESCC1Cc2c(c(-c3ccc(-c4ccccn4)cc3)c3ccccc3c2-c2ccc(-c3ccccn3)cc2)C=C1C1=CC(C)(c2ccccc2)CC(c2ccccc2)=C1
InChIInChI=1S/C56H44N2/c1-38-33-50-51(35-49(38)45-34-44(39-15-5-3-6-16-39)36-56(2,37-45)46-17-7-4-8-18-46)55(43-29-25-41(26-30-43)53-22-12-14-32-58-53)48-20-10-9-19-47(48)54(50)42-27-23-40(24-28-42)52-21-11-13-31-57-52/h3-32,34-35,37-38H,33,36H2,1-2H3
InChIKeyYODZMLVMHOYSOM-UHFFFAOYSA-N
XLogP14.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-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-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 129305562
3-(3,5-dipyridin-2-ylphenyl)-5-(5-methyl-3,5-dipyridin-2-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 163599445
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
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
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
2-[4-[6-(5-cyclohexa-2,4-dien-1-yl-3-phenylcyclohexa-1,3-dien-1-yl)-3-methyl-10-(4-pyridin-2-ylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]pyridine
CID 167210778
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
2,4-diphenyl-6-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 165168236
2-[4-[10-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthren-9-yl]phenyl]pyridine
CID 142416222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine (CID 170063372) is 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine is CC1Cc2c(c(-c3ccc(-c4ccccn4)cc3)c3ccccc3c2-c2ccc(-c3ccccn3)cc2)C=C1C1=CC(C)(c2ccccc2)CC(c2ccccc2)=C1.
What is the InChIKey of 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
The InChIKey is YODZMLVMHOYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-38-33-50-51(35-49(38)45-34-44(39-15-5-3-6-16-39)36-56(2,37-45)46-17-7-4-8-18-46)55(43-29-25-41(26-30-43)53-22-12-14-32-58-53)48-20-10-9-19-47(48)54(50)42-27-23-40(24-28-42)52-21-11-13-31-57-52/h3-32,34-35,37-38H,33,36H2,1-2H3.
What are the key properties of 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine has a molecular weight of 744.98 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 170063372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).