2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine

C81H55N3 — CID 148872624

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine (PubChem CID 148872624) has the molecular formula C81H55N3 and a molecular weight of 1070.35 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine.

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
• PubChem CID: 148872624
• Molecular Formula: C81H55N3
• Molecular Weight: 1070.35 g/mol
• Exact Mass: 1069.44
• IUPAC Name: 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)ccn4)ccc3-c3cc(-c4ccccc4)ccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C81H55N3/c1-4-18-56(19-5-1)59-30-32-62(33-31-59)77-54-67(81-55-66(46-49-84-81)58-22-8-3-9-23-58)43-45-76(77)78-53-65(57-20-6-2-7-21-57)42-44-75(78)70-51-68(73-26-12-10-24-71(73)60-34-38-63(39-35-60)79-28-14-16-47-82-79)50-69(52-70)74-27-13-11-25-72(74)61-36-40-64(41-37-61)80-29-15-17-48-83-80/h1-55H
• InChIKey: ZAQMBKMCRHZDBD-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.35
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?

The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine (CID 148872624) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine.

What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?

The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)ccn4)ccc3-c3cc(-c4ccccc4)ccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1.

What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?

The InChIKey is ZAQMBKMCRHZDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55N3/c1-4-18-56(19-5-1)59-30-32-62(33-31-59)77-54-67(81-55-66(46-49-84-81)58-22-8-3-9-23-58)43-45-76(77)78-53-65(57-20-6-2-7-21-57)42-44-75(78)70-51-68(73-26-12-10-24-71(73)60-34-38-63(39-35-60)79-28-14-16-47-82-79)50-69(52-70)74-27-13-11-25-72(74)61-36-40-64(41-37-61)80-29-15-17-48-83-80/h1-55H.

What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine?

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine has a molecular weight of 1070.35 g/mol, XLogP of 21.54, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine is sourced from PubChem (CID 148872624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).