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

C55H44N2 — CID 167210778

About 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

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 (PubChem CID 167210778) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167210778
• Molecular Formula: C55H44N2
• Molecular Weight: 732.97 g/mol
• Exact Mass: 732.35
• IUPAC Name: 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
• SMILES: CC1C=c2c(-c3ccc(-c4ccccn4)cc3)c3cc(C4=CC(c5ccccc5)=CC(C5C=CC=CC5)C4)ccc3c(-c3ccc(-c4ccccn4)cc3)c2=CC1
• InChI: InChI=1S/C55H44N2/c1-37-18-28-48-50(32-37)55(43-25-21-41(22-26-43)53-17-9-11-31-57-53)51-36-44(27-29-49(51)54(48)42-23-19-40(20-24-42)52-16-8-10-30-56-52)47-34-45(38-12-4-2-5-13-38)33-46(35-47)39-14-6-3-7-15-39/h2-14,16-17,19-34,36-37,39,46H,15,18,35H2,1H3
• InChIKey: JSOCZBMXDRKILM-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.97
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1C=c2c(-c3ccc(-c4ccccn4)cc3)c3cc(C4=CC(c5ccccc5)=CC(C5C=CC=CC5)C4)ccc3c(-c3ccc(-c4ccccn4)cc3)c2=CC1.

What is the InChIKey of 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?

The InChIKey is JSOCZBMXDRKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-37-18-28-48-50(32-37)55(43-25-21-41(22-26-43)53-17-9-11-31-57-53)51-36-44(27-29-49(51)54(48)42-23-19-40(20-24-42)52-16-8-10-30-56-52)47-34-45(38-12-4-2-5-13-38)33-46(35-47)39-14-6-3-7-15-39/h2-14,16-17,19-34,36-37,39,46H,15,18,35H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 732.97 g/mol, XLogP of 12.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167210778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).