2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine

C65H44N2 — CID 130375074

About 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine

2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine (PubChem CID 130375074) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
• PubChem CID: 130375074
• Molecular Formula: C65H44N2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.35
• IUPAC Name: 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c5)c4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C65H44N2/c1-5-19-45(20-6-1)47-35-37-48(38-36-47)62-44-63(67-64(66-62)49-23-9-3-10-24-49)52-27-17-25-50(39-52)54-40-53(46-21-7-2-8-22-46)41-55(42-54)51-26-18-30-57(43-51)65(56-28-11-4-12-29-56)60-33-15-13-31-58(60)59-32-14-16-34-61(59)65/h1-44H
• InChIKey: PASNFSBAGDFIKD-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.08
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine?

The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine (CID 130375074) is 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine.

What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine?

The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)c5)c4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine?

The InChIKey is PASNFSBAGDFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-5-19-45(20-6-1)47-35-37-48(38-36-47)62-44-63(67-64(66-62)49-23-9-3-10-24-49)52-27-17-25-50(39-52)54-40-53(46-21-7-2-8-22-46)41-55(42-54)51-26-18-30-57(43-51)65(56-28-11-4-12-29-56)60-33-15-13-31-58(60)59-32-14-16-34-61(59)65/h1-44H.

What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine?

2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 853.08 g/mol, XLogP of 16.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 130375074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).