4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine

C59H42N2 — CID 168778016

About 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine (PubChem CID 168778016) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
• PubChem CID: 168778016
• Molecular Formula: C59H42N2
• Molecular Weight: 779.00 g/mol
• Exact Mass: 778.33
• IUPAC Name: 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
• SMILES: CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)nc(-c5ccccc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21
• InChI: InChI=1S/C59H42N2/c1-58(2)50-28-16-26-48(56(50)55-41-22-11-10-17-37(41)30-34-51(55)58)44-32-33-47(43-24-13-12-23-42(43)44)54-36-53(60-57(61-54)38-18-6-4-7-19-38)39-29-31-46-45-25-14-15-27-49(45)59(3,52(46)35-39)40-20-8-5-9-21-40/h4-36H,1-3H3
• InChIKey: OBICBNZMLINBFC-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.00
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine?

The IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine (CID 168778016) is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine.

What is the SMILES notation for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine?

The canonical SMILES for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine is CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)nc(-c5ccccc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21.

What is the InChIKey of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine?

The InChIKey is OBICBNZMLINBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-58(2)50-28-16-26-48(56(50)55-41-22-11-10-17-37(41)30-34-51(55)58)44-32-33-47(43-24-13-12-23-42(43)44)54-36-53(60-57(61-54)38-18-6-4-7-19-38)39-29-31-46-45-25-14-15-27-49(45)59(3,52(46)35-39)40-20-8-5-9-21-40/h4-36H,1-3H3.

What are the key properties of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine?

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine has a molecular weight of 779.00 g/mol, XLogP of 15.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine is sourced from PubChem (CID 168778016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).