4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine

C106H100Cl2N4 — CID 134227284

About 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine (PubChem CID 134227284) has the molecular formula C106H100Cl2N4 and a molecular weight of 1500.90 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine
• PubChem CID: 134227284
• Molecular Formula: C106H100Cl2N4
• Molecular Weight: 1500.90 g/mol
• Exact Mass: 1498.73
• IUPAC Name: 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine
• SMILES: CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4cc(CC5(C)c6ccc(-c7ccc(-c8ccccc8-c8cc(Cl)cc(-c9ccccc9-c9ccc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc9)c8)cn7)cc6C(C)(C)C5(C)C)ccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1
• InChI: InChI=1S/C106H100Cl2N4/c1-99(2,3)79-48-50-109-97(61-79)69-35-31-67(32-36-69)83-24-18-21-27-86(83)77-54-78(58-82(108)57-77)90-52-66(30-43-89(90)68-33-37-70(38-34-68)98-62-80(49-51-110-98)100(4,5)6)63-106(17)92-45-40-72(60-94(92)103(11,12)105(106,15)16)96-47-42-74(65-112-96)85-26-20-23-29-88(85)76-53-75(55-81(107)56-76)87-28-22-19-25-84(87)73-41-46-95(111-64-73)71-39-44-91-93(59-71)102(9,10)104(13,14)101(91,7)8/h18-62,64-65H,63H2,1-17H3
• InChIKey: LMPHFFNABJRQIR-UHFFFAOYSA-N
• XLogP: 29.59
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1500.90
LogP ≤ 5	29.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine?

The IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine (CID 134227284) is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine.

What is the SMILES notation for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine?

The canonical SMILES for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine is CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4cc(CC5(C)c6ccc(-c7ccc(-c8ccccc8-c8cc(Cl)cc(-c9ccccc9-c9ccc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc9)c8)cn7)cc6C(C)(C)C5(C)C)ccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1.

What is the InChIKey of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine?

The InChIKey is LMPHFFNABJRQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H100Cl2N4/c1-99(2,3)79-48-50-109-97(61-79)69-35-31-67(32-36-69)83-24-18-21-27-86(83)77-54-78(58-82(108)57-77)90-52-66(30-43-89(90)68-33-37-70(38-34-68)98-62-80(49-51-110-98)100(4,5)6)63-106(17)92-45-40-72(60-94(92)103(11,12)105(106,15)16)96-47-42-74(65-112-96)85-26-20-23-29-88(85)76-53-75(55-81(107)56-76)87-28-22-19-25-84(87)73-41-46-95(111-64-73)71-39-44-91-93(59-71)102(9,10)104(13,14)101(91,7)8/h18-62,64-65H,63H2,1-17H3.

What are the key properties of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine?

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine has a molecular weight of 1500.90 g/mol, XLogP of 29.59, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]-5-[[5-[5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-1,2,2,3,3-pentamethylinden-1-yl]methyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134227284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).