2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine

C57H38N4 — CID 156528933

About 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine

2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 156528933) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 156528933
• Molecular Formula: C57H38N4
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.31
• IUPAC Name: 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc3)c(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C57H38N4/c1-6-18-40(19-7-1)52-37-36-47(53(58-52)41-20-8-2-9-21-41)39-30-32-43(33-31-39)55-59-54(42-22-10-3-11-23-42)60-56(61-55)44-34-35-49-48-28-16-17-29-50(48)57(51(49)38-44,45-24-12-4-13-25-45)46-26-14-5-15-27-46/h1-38H
• InChIKey: PZBFUKZWTXCVRU-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.96
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine (CID 156528933) is 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc3)c(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is PZBFUKZWTXCVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-6-18-40(19-7-1)52-37-36-47(53(58-52)41-20-8-2-9-21-41)39-30-32-43(33-31-39)55-59-54(42-22-10-3-11-23-42)60-56(61-55)44-34-35-49-48-28-16-17-29-50(48)57(51(49)38-44,45-24-12-4-13-25-45)46-26-14-5-15-27-46/h1-38H.

What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine?

2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 778.96 g/mol, XLogP of 13.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156528933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).