2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C51H42FN3 — CID 146541605

About 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146541605) has the molecular formula C51H42FN3 and a molecular weight of 715.92 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 146541605
• Molecular Formula: C51H42FN3
• Molecular Weight: 715.92 g/mol
• Exact Mass: 715.34
• IUPAC Name: 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: C/C=C\C1=C(CF)C(C)(C)c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
• InChI: InChI=1S/C51H42FN3/c1-6-15-39-41-24-22-35(30-45(41)51(4,5)46(39)31-52)37-26-36(34-23-25-42-40-20-13-14-21-43(40)50(2,3)44(42)29-34)27-38(28-37)49-54-47(32-16-9-7-10-17-32)53-48(55-49)33-18-11-8-12-19-33/h6-30H,31H2,1-5H3/b15-6-
• InChIKey: JZJVRGLVEPGFIN-UUASQNMZSA-N
• XLogP: 13.10
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.92
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146541605) is 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is C/C=C\C1=C(CF)C(C)(C)c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.

What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is JZJVRGLVEPGFIN-UUASQNMZSA-N. The full InChI is InChI=1S/C51H42FN3/c1-6-15-39-41-24-22-35(30-45(41)51(4,5)46(39)31-52)37-26-36(34-23-25-42-40-20-13-14-21-43(40)50(2,3)44(42)29-34)27-38(28-37)49-54-47(32-16-9-7-10-17-32)53-48(55-49)33-18-11-8-12-19-33/h6-30H,31H2,1-5H3/b15-6-.

What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 715.92 g/mol, XLogP of 13.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(9,9-dimethylfluoren-2-yl)-5-[2-(fluoromethyl)-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146541605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).