4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine

C66H46N2 — CID 168779038

About 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine

4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (PubChem CID 168779038) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
• PubChem CID: 168779038
• Molecular Formula: C66H46N2
• Molecular Weight: 867.11 g/mol
• Exact Mass: 866.37
• IUPAC Name: 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5)c5ccccc45)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C66H46N2/c1-65(2)58-31-16-14-29-53(58)55-35-33-47(41-61(55)65)62-42-63(68-64(67-62)43-19-6-3-7-20-43)56-37-36-50(51-27-12-13-28-52(51)56)46-22-18-21-44(39-46)45-34-38-60-57(40-45)54-30-15-17-32-59(54)66(60,48-23-8-4-9-24-48)49-25-10-5-11-26-49/h3-42H,1-2H3
• InChIKey: HTLGIMOQYXPKBY-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-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine (CID 168779038) is 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine.

What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5)c5ccccc45)nc(-c4ccccc4)n3)cc21.

What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

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

What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine?

4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-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-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 168779038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).