2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C64H41N3 — CID 155465924

About 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 155465924) has the molecular formula C64H41N3 and a molecular weight of 852.05 g/mol. Its IUPAC name is 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 155465924
• Molecular Formula: C64H41N3
• Molecular Weight: 852.05 g/mol
• Exact Mass: 851.33
• IUPAC Name: 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c7c(ccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C64H41N3/c1-4-17-44(18-5-1)61-65-62(67-63(66-61)49-33-28-42-16-10-11-19-46(42)40-49)45-31-29-43(30-32-45)52-38-39-53(56-25-13-12-24-55(52)56)47-34-36-54-48(41-47)35-37-58-57-26-14-15-27-59(57)64(60(54)58,50-20-6-2-7-21-50)51-22-8-3-9-23-51/h1-41H
• InChIKey: SMXYRHGLIFXXIO-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.05
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 155465924) is 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c7c(ccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

The InChIKey is SMXYRHGLIFXXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3/c1-4-17-44(18-5-1)61-65-62(67-63(66-61)49-33-28-42-16-10-11-19-46(42)40-49)45-31-29-43(30-32-45)52-38-39-53(56-25-13-12-24-55(52)56)47-34-36-54-48(41-47)35-37-58-57-26-14-15-27-59(57)64(60(54)58,50-20-6-2-7-21-50)51-22-8-3-9-23-51/h1-41H.

What are the key properties of 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 852.05 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155465924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).