N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine

C₇₅H₅₆AlN₅O₃ — CID 146899967

About N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine

N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine (PubChem CID 146899967) has the molecular formula C₇₅H₅₆AlN₅O₃ and a molecular weight of 1102.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 146899967
• Molecular Formula: C₇₅H₅₆AlN₅O₃
• Molecular Weight: 1102.29 g/mol
• Exact Mass: 1101.42
• IUPAC Name: N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine
• SMILES: Cc1ccc(N(c2ccc(-c3ccc(N(Cc4ccc(-c5ccc(O[Al](Oc6cccc7cccnc67)Oc6ccc(C)c7cccnc67)c6ncccc56)cc4)Cc4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C56H43N3O.C10H9NO.C9H7NO.Al/c1-39-18-28-48(29-19-39)59(54-17-7-12-44-10-3-5-15-52(44)54)49-32-26-42(27-33-49)41-24-30-47(31-25-41)58(38-46-13-6-11-43-9-2-4-14-50(43)46)37-40-20-22-45(23-21-40)51-34-35-55(60)56-53(51)16-8-36-57-56;1-7-4-5-9(12)10-8(7)3-2-6-11-10;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2-36,60H,37-38H2,1H3;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3
• InChIKey: CQJPGINODJQFBG-UHFFFAOYSA-K
• XLogP: 18.79
• TPSA: 72.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.29
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine (CID 146899967) is N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine is Cc1ccc(N(c2ccc(-c3ccc(N(Cc4ccc(-c5ccc(O[Al](Oc6cccc7cccnc67)Oc6ccc(C)c7cccnc67)c6ncccc56)cc4)Cc4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine?

The InChIKey is CQJPGINODJQFBG-UHFFFAOYSA-K. The full InChI is InChI=1S/C56H43N3O.C10H9NO.C9H7NO.Al/c1-39-18-28-48(29-19-39)59(54-17-7-12-44-10-3-5-15-52(44)54)49-32-26-42(27-33-49)41-24-30-47(31-25-41)58(38-46-13-6-11-43-9-2-4-14-50(43)46)37-40-20-22-45(23-21-40)51-34-35-55(60)56-53(51)16-8-36-57-56;1-7-4-5-9(12)10-8(7)3-2-6-11-10;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2-36,60H,37-38H2,1H3;2-6,12H,1H3;1-6,11H;/q;;;+3/p-3.

What are the key properties of N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine?

N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine has a molecular weight of 1102.29 g/mol, XLogP of 18.79, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-N-[4-[4-[[4-[8-[(5-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]phenyl]methyl-(naphthalen-1-ylmethyl)amino]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 146899967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146899967 — identifiers, structure, computed properties (public domain)

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