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

C60H44N2 — CID 176793584

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

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine (PubChem CID 176793584) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
• PubChem CID: 176793584
• Molecular Formula: C60H44N2
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.35
• IUPAC Name: 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc5cc(-c6cc(-c7cccc8c7-c7cc9ccccc9cc7C8(C)C)nc(-c7ccccc7)n6)ccc5c4)cc3)cccc21
• InChI: InChI=1S/C60H44N2/c1-59(2)50-21-11-10-18-47(50)56-46(19-12-22-51(56)59)38-26-24-37(25-27-38)42-28-29-44-33-45(31-30-43(44)32-42)54-36-55(62-58(61-54)39-14-6-5-7-15-39)48-20-13-23-52-57(48)49-34-40-16-8-9-17-41(40)35-53(49)60(52,3)4/h5-36H,1-4H3
• InChIKey: ZNDVPPQSRNNFIL-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine (CID 176793584) is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine.

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

The canonical SMILES for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc5cc(-c6cc(-c7cccc8c7-c7cc9ccccc9cc7C8(C)C)nc(-c7ccccc7)n6)ccc5c4)cc3)cccc21.

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

The InChIKey is ZNDVPPQSRNNFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)50-21-11-10-18-47(50)56-46(19-12-22-51(56)59)38-26-24-37(25-27-38)42-28-29-44-33-45(31-30-43(44)32-42)54-36-55(62-58(61-54)39-14-6-5-7-15-39)48-20-13-23-52-57(48)49-34-40-16-8-9-17-41(40)35-53(49)60(52,3)4/h5-36H,1-4H3.

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

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine has a molecular weight of 793.03 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine is sourced from PubChem (CID 176793584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).