2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine

C64H44N2 — CID 168779036

About 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine

2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine (PubChem CID 168779036) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine.

Molecular Properties

• Compound Name: 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
• PubChem CID: 168779036
• Molecular Formula: C64H44N2
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.35
• IUPAC Name: 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
• SMILES: CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C64H44N2/c1-63(2)56-37-32-41-18-12-13-25-48(41)61(56)54-34-30-43(38-57(54)63)47-35-36-53(50-27-15-14-26-49(47)50)62-65-59(42-19-6-3-7-20-42)40-60(66-62)44-31-33-52-51-28-16-17-29-55(51)64(58(52)39-44,45-21-8-4-9-22-45)46-23-10-5-11-24-46/h3-40H,1-2H3
• InChIKey: WGLRGLXBYIANKM-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.07
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine?

The IUPAC name of 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine (CID 168779036) is 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine.

What is the SMILES notation for 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine?

The canonical SMILES for 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine is CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)c4ccccc34)ccc2-c2c1ccc1ccccc21.

What is the InChIKey of 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine?

The InChIKey is WGLRGLXBYIANKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-63(2)56-37-32-41-18-12-13-25-48(41)61(56)54-34-30-43(38-57(54)63)47-35-36-53(50-27-15-14-26-49(47)50)62-65-59(42-19-6-3-7-20-42)40-60(66-62)44-31-33-52-51-28-16-17-29-55(51)64(58(52)39-44,45-21-8-4-9-22-45)46-23-10-5-11-24-46/h3-40H,1-2H3.

What are the key properties of 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine?

2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine has a molecular weight of 841.07 g/mol, XLogP of 16.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine is sourced from PubChem (CID 168779036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).