N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine

C64H42N4 — CID 66598615

About N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 66598615) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 66598615
• Molecular Formula: C64H42N4
• Molecular Weight: 867.07 g/mol
• Exact Mass: 866.34
• IUPAC Name: N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2ccc(C3(c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C64H42N4/c1-2-21-53(22-3-1)68(60-28-14-20-45-17-8-9-23-55(45)60)54-39-37-52(38-40-54)64(58-26-12-10-24-56(58)57-25-11-13-27-59(57)64)51-35-33-46(34-36-51)61-65-62(49-31-29-43-15-4-6-18-47(43)41-49)67-63(66-61)50-32-30-44-16-5-7-19-48(44)42-50/h1-42H
• InChIKey: UUPOFDNMDFXOFF-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.07
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 66598615) is N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(C3(c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is UUPOFDNMDFXOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-2-21-53(22-3-1)68(60-28-14-20-45-17-8-9-23-55(45)60)54-39-37-52(38-40-54)64(58-26-12-10-24-56(58)57-25-11-13-27-59(57)64)51-35-33-46(34-36-51)61-65-62(49-31-29-43-15-4-6-18-47(43)41-49)67-63(66-61)50-32-30-44-16-5-7-19-48(44)42-50/h1-42H.

What are the key properties of N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 867.07 g/mol, XLogP of 16.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 66598615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).