4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine

C66H46N2 — CID 176794472

About 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine

4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 176794472) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
• PubChem CID: 176794472
• Molecular Formula: C66H46N2
• Molecular Weight: 867.11 g/mol
• Exact Mass: 866.37
• IUPAC Name: 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
• SMILES: CC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3cc(-c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4)n3)cccc21
• InChI: InChI=1S/C66H46N2/c1-65(2)58-36-20-34-55(63(58)56-39-44-23-12-13-24-45(44)40-59(56)65)50-30-15-17-33-54(50)62-42-61(67-64(68-62)43-21-6-3-7-22-43)53-32-16-14-29-49(53)46-37-38-52-51-31-18-19-35-57(51)66(60(52)41-46,47-25-8-4-9-26-47)48-27-10-5-11-28-48/h3-42H,1-2H3
• InChIKey: BMEWZSYLZGIHGI-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.11
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

The IUPAC name of 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine (CID 176794472) is 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine.

What is the SMILES notation for 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

The canonical SMILES for 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3-c3cc(-c4ccccc4-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4)n3)cccc21.

What is the InChIKey of 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

The InChIKey is BMEWZSYLZGIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-65(2)58-36-20-34-55(63(58)56-39-44-23-12-13-24-45(44)40-59(56)65)50-30-15-17-33-54(50)62-42-61(67-64(68-62)43-21-6-3-7-22-43)53-32-16-14-29-49(53)46-37-38-52-51-31-18-19-35-57(51)66(60(52)41-46,47-25-8-4-9-26-47)48-27-10-5-11-28-48/h3-42H,1-2H3.

What are the key properties of 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine?

4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 867.11 g/mol, XLogP of 16.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 176794472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).