4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine

C61H41N5 — CID 164817160

About 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine

4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine (PubChem CID 164817160) has the molecular formula C61H41N5 and a molecular weight of 844.03 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
• PubChem CID: 164817160
• Molecular Formula: C61H41N5
• Molecular Weight: 844.03 g/mol
• Exact Mass: 843.34
• IUPAC Name: 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cn4)nc(-c4ccc(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cc5)cn4)c3)cc2)cc1
• InChI: InChI=1S/C61H41N5/c1-5-13-42(14-6-1)44-23-27-48(28-24-44)54-37-59(55-35-33-52(40-62-55)43-15-7-2-8-16-43)64-60(38-54)56-36-34-53(41-63-56)47-25-21-45(22-26-47)46-29-31-51(32-30-46)61-65-57(49-17-9-3-10-18-49)39-58(66-61)50-19-11-4-12-20-50/h1-41H
• InChIKey: BDSHGTSZFQVGOO-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.03
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine?

The IUPAC name of 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine (CID 164817160) is 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine.

What is the SMILES notation for 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine?

The canonical SMILES for 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cn4)nc(-c4ccc(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cc5)cn4)c3)cc2)cc1.

What is the InChIKey of 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine?

The InChIKey is BDSHGTSZFQVGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5/c1-5-13-42(14-6-1)44-23-27-48(28-24-44)54-37-59(55-35-33-52(40-62-55)43-15-7-2-8-16-43)64-60(38-54)56-36-34-53(41-63-56)47-25-21-45(22-26-47)46-29-31-51(32-30-46)61-65-57(49-17-9-3-10-18-49)39-58(66-61)50-19-11-4-12-20-50/h1-41H.

What are the key properties of 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine?

4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine has a molecular weight of 844.03 g/mol, XLogP of 15.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 164817160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).