3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine

C63H44N4 — CID 155116761

About 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine

3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 155116761) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
• PubChem CID: 155116761
• Molecular Formula: C63H44N4
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.36
• IUPAC Name: 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
• SMILES: C1=CC(c2cncc(-c3cccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)c2)=CNC1
• InChI: InChI=1S/C63H44N4/c1-3-20-56(21-4-1)63(57-22-5-2-6-23-57)60-26-8-7-24-59(60)62-58(25-11-27-61(62)63)51-33-49(43-14-9-16-45(30-43)52-35-54(41-66-39-52)47-18-12-28-64-37-47)32-50(34-51)44-15-10-17-46(31-44)53-36-55(42-67-40-53)48-19-13-29-65-38-48/h1-28,30-42,65H,29H2
• InChIKey: UOFDGSSGKZJWRW-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 50.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?

The IUPAC name of 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine (CID 155116761) is 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?

The canonical SMILES for 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine is C1=CC(c2cncc(-c3cccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)c2)=CNC1.

What is the InChIKey of 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?

The InChIKey is UOFDGSSGKZJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-3-20-56(21-4-1)63(57-22-5-2-6-23-57)60-26-8-7-24-59(60)62-58(25-11-27-61(62)63)51-33-49(43-14-9-16-45(30-43)52-35-54(41-66-39-52)47-18-12-28-64-37-47)32-50(34-51)44-15-10-17-46(31-44)53-36-55(42-67-40-53)48-19-13-29-65-38-48/h1-28,30-42,65H,29H2.

What are the key properties of 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?

3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 857.07 g/mol, XLogP of 14.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,2-dihydropyridin-5-yl)-5-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 155116761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).