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

IUPACN-(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
SMILESCc1ccc(N(c2ccc(-c3ccc(N(Cc4ccc(-c5ccc(O[Al](Oc6cccc7cccnc67)Oc6ccc(C)c7cccnc67)c6ncccc56)cc4)Cc4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=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
InChIKeyCQJPGINODJQFBG-UHFFFAOYSA-K
MW1102.29 g/mol
LogP18.79
Rot. Bonds16

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 NameN-(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 CID146899967
Molecular FormulaC75H56AlN5O3
Molecular Weight1102.29 g/mol
Exact Mass1101.42
IUPAC NameN-(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
SMILESCc1ccc(N(c2ccc(-c3ccc(N(Cc4ccc(-c5ccc(O[Al](Oc6cccc7cccnc67)Oc6ccc(C)c7cccnc67)c6ncccc56)cc4)Cc4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=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
InChIKeyCQJPGINODJQFBG-UHFFFAOYSA-K
XLogP18.79
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.29
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Aluminum tris(4-methyl-5-(trifluoromethyl)quinolin-8-olate)
CID 23079065
[6-[3,5-Bis(trifluoromethyl)phenyl]naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831695
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639
(4-Fluoro-5-phenylnaphthalen-1-yl)oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251661
(5-Fluoro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
CID 59288622
Tris[[4-methyl-5-(trifluoromethyl)quinolin-8-yl]oxy]alumane
CID 140491374
CID 157251634
CID 157251634
5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol
CID 160581931
(2E)-2-[(12Z)-2-[3,5-bis(trifluoromethyl)phenyl]-12-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;tri(quinolin-8-yloxy)alumane
CID 160838698

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).