2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine

C55H37N — CID 171724335

IUPAC2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5cccc(-c6ccccn6)c5)c5ccccc5c(-c5cccc(-c6ccccc6)c5)c4c3)c2)cc1
InChIInChI=1S/C55H37N/c1-4-16-38(17-5-1)41-22-14-24-44(32-41)55-50-27-11-10-26-49(50)54(45-25-15-23-43(33-45)53-28-12-13-31-56-53)51-30-29-42(37-52(51)55)48-35-46(39-18-6-2-7-19-39)34-47(36-48)40-20-8-3-9-21-40/h1-37H
InChIKeyUENSFZYPNIZFLP-UHFFFAOYSA-N
MW711.91 g/mol
LogP15.06
Rot. Bonds7

About 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine

2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 171724335) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
PubChem CID171724335
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC Name2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5cccc(-c6ccccn6)c5)c5ccccc5c(-c5cccc(-c6ccccc6)c5)c4c3)c2)cc1
InChIInChI=1S/C55H37N/c1-4-16-38(17-5-1)41-22-14-24-44(32-41)55-50-27-11-10-26-49(50)54(45-25-15-23-43(33-45)53-28-12-13-31-56-53)51-30-29-42(37-52(51)55)48-35-46(39-18-6-2-7-19-39)34-47(36-48)40-20-8-3-9-21-40/h1-37H
InChIKeyUENSFZYPNIZFLP-UHFFFAOYSA-N
XLogP15.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine (CID 171724335) is 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5cccc(-c6ccccn6)c5)c5ccccc5c(-c5cccc(-c6ccccc6)c5)c4c3)c2)cc1.
What is the InChIKey of 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is UENSFZYPNIZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-4-16-38(17-5-1)41-22-14-24-44(32-41)55-50-27-11-10-26-49(50)54(45-25-15-23-43(33-45)53-28-12-13-31-56-53)51-30-29-42(37-52(51)55)48-35-46(39-18-6-2-7-19-39)34-47(36-48)40-20-8-3-9-21-40/h1-37H.
What are the key properties of 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine?
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 711.91 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 171724335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).