4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine

C59H38N2 — CID 167344509

About 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine

4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine (PubChem CID 167344509) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
• PubChem CID: 167344509
• Molecular Formula: C59H38N2
• Molecular Weight: 774.97 g/mol
• Exact Mass: 774.30
• IUPAC Name: 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C59H38N2/c1-3-14-39(15-4-1)40-26-30-43(31-27-40)57-38-56(42-16-5-2-6-17-42)60-58(61-57)44-32-28-41(29-33-44)45-18-13-19-46(36-45)47-34-35-55-51(37-47)50-22-9-12-25-54(50)59(55)52-23-10-7-20-48(52)49-21-8-11-24-53(49)59/h1-38H
• InChIKey: GIRPRIVIDOGZFJ-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.97
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine?

The IUPAC name of 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine (CID 167344509) is 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine.

What is the SMILES notation for 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine?

The canonical SMILES for 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)cc4)n3)cc2)cc1.

What is the InChIKey of 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine?

The InChIKey is GIRPRIVIDOGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-3-14-39(15-4-1)40-26-30-43(31-27-40)57-38-56(42-16-5-2-6-17-42)60-58(61-57)44-32-28-41(29-33-44)45-18-13-19-46(36-45)47-34-35-55-51(37-47)50-22-9-12-25-54(50)59(55)52-23-10-7-20-48(52)49-21-8-11-24-53(49)59/h1-38H.

What are the key properties of 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine?

4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine has a molecular weight of 774.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 167344509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).