N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine

C53H42N4 — CID 163927412

About N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 163927412) has the molecular formula C53H42N4 and a molecular weight of 734.95 g/mol. Its IUPAC name is N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 163927412
• Molecular Formula: C53H42N4
• Molecular Weight: 734.95 g/mol
• Exact Mass: 734.34
• IUPAC Name: N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: CC1=CCCc2nc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c(-c3ccc(N(c4ccccc4)c4cccc5c4C=CCC5)cc3)nc21
• InChI: InChI=1S/C53H42N4/c1-37-15-12-26-48-51(37)55-53(41-31-35-45(36-32-41)57(43-22-6-3-7-23-43)50-28-14-19-39-17-9-11-25-47(39)50)52(54-48)40-29-33-44(34-30-40)56(42-20-4-2-5-21-42)49-27-13-18-38-16-8-10-24-46(38)49/h2-8,10-11,13-16,18-25,27-36H,9,12,17,26H2,1H3
• InChIKey: RFRZWXNTRMCJLT-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.95
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 163927412) is N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine is CC1=CCCc2nc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c(-c3ccc(N(c4ccccc4)c4cccc5c4C=CCC5)cc3)nc21.

What is the InChIKey of N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is RFRZWXNTRMCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N4/c1-37-15-12-26-48-51(37)55-53(41-31-35-45(36-32-41)57(43-22-6-3-7-23-43)50-28-14-19-39-17-9-11-25-47(39)50)52(54-48)40-29-33-44(34-30-40)56(42-20-4-2-5-21-42)49-27-13-18-38-16-8-10-24-46(38)49/h2-8,10-11,13-16,18-25,27-36H,9,12,17,26H2,1H3.

What are the key properties of N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 734.95 g/mol, XLogP of 14.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 163927412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).