3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine

C53H38N4 — CID 164785748

About 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine

3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine (PubChem CID 164785748) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine.

Molecular Properties

• Compound Name: 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
• PubChem CID: 164785748
• Molecular Formula: C53H38N4
• Molecular Weight: 730.92 g/mol
• Exact Mass: 730.31
• IUPAC Name: 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)c3)cc21
• InChI: InChI=1S/C53H38N4/c1-53(2)51-12-4-3-11-49(51)50-14-13-41(30-52(50)53)44-26-42(37-7-5-9-39(23-37)47-28-45(31-56-33-47)35-15-19-54-20-16-35)25-43(27-44)38-8-6-10-40(24-38)48-29-46(32-57-34-48)36-17-21-55-22-18-36/h3-34H,1-2H3
• InChIKey: RHQDCXGUBFYJGI-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.92
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine?

The IUPAC name of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine (CID 164785748) is 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine.

What is the SMILES notation for 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine?

The canonical SMILES for 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)cc(-c4cccc(-c5cncc(-c6ccncc6)c5)c4)c3)cc21.

What is the InChIKey of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine?

The InChIKey is RHQDCXGUBFYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-53(2)51-12-4-3-11-49(51)50-14-13-41(30-52(50)53)44-26-42(37-7-5-9-39(23-37)47-28-45(31-56-33-47)35-15-19-54-20-16-35)25-43(27-44)38-8-6-10-40(24-38)48-29-46(32-57-34-48)36-17-21-55-22-18-36/h3-34H,1-2H3.

What are the key properties of 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine?

3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine has a molecular weight of 730.92 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine is sourced from PubChem (CID 164785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).