5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol

C104H82N6O2 — CID 139429729

About 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol

5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol (PubChem CID 139429729) has the molecular formula C104H82N6O2 and a molecular weight of 1447.84 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol.

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol
• PubChem CID: 139429729
• Molecular Formula: C104H82N6O2
• Molecular Weight: 1447.84 g/mol
• Exact Mass: 1446.65
• IUPAC Name: 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol
• SMILES: Cc1cc(-c2ccccc2)ncc1CCc1cc(CCc2cnc(-c3ccccc3)cc2C)cc(-c2ccccc2-c2cnc(-c3ccc(-c4ccnc(-c5ccc(CCc6cc(CCc7ccc(-c8ccccn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc9ccccc9n8)cc7O)c6)cc5)c4)cc3)cc2O)c1
• InChI: InChI=1S/C104H82N6O2/c1-69-55-99(78-17-5-3-6-18-78)107-66-86(69)42-36-75-58-76(37-43-87-67-108-100(56-70(87)2)79-19-7-4-8-20-79)62-89(61-75)91-23-11-13-25-93(91)95-68-109-102(65-104(95)112)83-46-44-77(45-47-83)84-52-54-106-101(63-84)82-40-34-72(35-41-82)29-31-74-57-73(30-28-71-32-38-81(39-33-71)96-26-15-16-53-105-96)59-88(60-74)90-22-10-12-24-92(90)94-50-48-85(64-103(94)111)98-51-49-80-21-9-14-27-97(80)110-98/h3-27,32-35,38-41,44-68,111H,28-31,36-37,42-43H2,1-2H3,(H,109,112)
• InChIKey: DVNCXHNBHYDPDL-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 117.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.84
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol?

The IUPAC name of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol (CID 139429729) is 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol.

What is the SMILES notation for 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol?

The canonical SMILES for 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol is Cc1cc(-c2ccccc2)ncc1CCc1cc(CCc2cnc(-c3ccccc3)cc2C)cc(-c2ccccc2-c2cnc(-c3ccc(-c4ccnc(-c5ccc(CCc6cc(CCc7ccc(-c8ccccn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc9ccccc9n8)cc7O)c6)cc5)c4)cc3)cc2O)c1.

What is the InChIKey of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol?

The InChIKey is DVNCXHNBHYDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H82N6O2/c1-69-55-99(78-17-5-3-6-18-78)107-66-86(69)42-36-75-58-76(37-43-87-67-108-100(56-70(87)2)79-19-7-4-8-20-79)62-89(61-75)91-23-11-13-25-93(91)95-68-109-102(65-104(95)112)83-46-44-77(45-47-83)84-52-54-106-101(63-84)82-40-34-72(35-41-82)29-31-74-57-73(30-28-71-32-38-81(39-33-71)96-26-15-16-53-105-96)59-88(60-74)90-22-10-12-24-92(90)94-50-48-85(64-103(94)111)98-51-49-80-21-9-14-27-97(80)110-98/h3-27,32-35,38-41,44-68,111H,28-31,36-37,42-43H2,1-2H3,(H,109,112).

What are the key properties of 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol?

5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol has a molecular weight of 1447.84 g/mol, XLogP of 24.72, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-[4-[2-[4-[2-[3-[2-(2-hydroxy-4-quinolin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]-4-pyridinyl]phenyl]pyridin-4-ol is sourced from PubChem (CID 139429729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).