5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

C94H66N8O2 — CID 153448968

About 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide

5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 153448968) has the molecular formula C94H66N8O2 and a molecular weight of 1339.62 g/mol. Its IUPAC name is 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
• PubChem CID: 153448968
• Molecular Formula: C94H66N8O2
• Molecular Weight: 1339.62 g/mol
• Exact Mass: 1338.53
• IUPAC Name: 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
• SMILES: CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1
• InChI: InChI=1S/C94H66N8O2/c1-101(78-45-39-66(40-46-78)88-33-17-19-51-95-88)93(103)75-56-74(57-76(58-75)94(104)102(2)79-47-41-67(42-48-79)89-34-18-20-52-96-89)83-28-12-9-25-80(83)63-35-37-68(38-36-63)92-99-61-77(62-100-92)87-32-16-15-31-86(87)73-54-71(84-29-13-10-26-81(84)69-43-49-90(97-59-69)64-21-5-3-6-22-64)53-72(55-73)85-30-14-11-27-82(85)70-44-50-91(98-60-70)65-23-7-4-8-24-65/h3-62H,1-2H3
• InChIKey: CLZQVOMLXCGVFF-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 117.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.62
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?

The IUPAC name of 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide (CID 153448968) is 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide.

What is the SMILES notation for 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?

The canonical SMILES for 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ncc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)cc2)c1)c1ccc(-c2ccccn2)cc1.

What is the InChIKey of 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?

The InChIKey is CLZQVOMLXCGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H66N8O2/c1-101(78-45-39-66(40-46-78)88-33-17-19-51-95-88)93(103)75-56-74(57-76(58-75)94(104)102(2)79-47-41-67(42-48-79)89-34-18-20-52-96-89)83-28-12-9-25-80(83)63-35-37-68(38-36-63)92-99-61-77(62-100-92)87-32-16-15-31-86(87)73-54-71(84-29-13-10-26-81(84)69-43-49-90(97-59-69)64-21-5-3-6-22-64)53-72(55-73)85-30-14-11-27-82(85)70-44-50-91(98-60-70)65-23-7-4-8-24-65/h3-62H,1-2H3.

What are the key properties of 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide?

5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 1339.62 g/mol, XLogP of 22.28, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 153448968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).