N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline

C90H70Al2N6O6 — CID 21349157

IUPACN-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline
SMILESCc1cccc(N(c2ccc(-c3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(O[Al](Oc6cccc7ccc(C)nc67)Oc6cccc7ccc(C)nc67)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C50H40N2O2.4C10H9NO.2Al/c1-35-5-3-7-47(33-35)51(45-25-13-39(14-26-45)41-17-29-49(53)30-18-41)43-21-9-37(10-22-43)38-11-23-44(24-12-38)52(48-8-4-6-36(2)34-48)46-27-15-40(16-28-46)42-19-31-50(54)32-20-42;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h3-34,53-54H,1-2H3;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6
InChIKeyNGHLQCMVKZRAKM-UHFFFAOYSA-H
MW1385.55 g/mol
LogP22.71
Rot. Bonds21

About N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline

N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline (PubChem CID 21349157) has the molecular formula C90H70Al2N6O6 and a molecular weight of 1385.55 g/mol. Its IUPAC name is N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline.

Molecular Properties

Compound NameN-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline
PubChem CID21349157
Molecular FormulaC90H70Al2N6O6
Molecular Weight1385.55 g/mol
Exact Mass1384.50
IUPAC NameN-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline
SMILESCc1cccc(N(c2ccc(-c3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(O[Al](Oc6cccc7ccc(C)nc67)Oc6cccc7ccc(C)nc67)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C50H40N2O2.4C10H9NO.2Al/c1-35-5-3-7-47(33-35)51(45-25-13-39(14-26-45)41-17-29-49(53)30-18-41)43-21-9-37(10-22-43)38-11-23-44(24-12-38)52(48-8-4-6-36(2)34-48)46-27-15-40(16-28-46)42-19-31-50(54)32-20-42;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h3-34,53-54H,1-2H3;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6
InChIKeyNGHLQCMVKZRAKM-UHFFFAOYSA-H
XLogP22.71
TPSA113.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.55
LogP ≤ 522.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline?
The IUPAC name of N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline (CID 21349157) is N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline.
What is the SMILES notation for N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline?
The canonical SMILES for N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline is Cc1cccc(N(c2ccc(-c3ccc(O[Al](Oc4cccc5ccc(C)nc45)Oc4cccc5ccc(C)nc45)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(O[Al](Oc6cccc7ccc(C)nc67)Oc6cccc7ccc(C)nc67)cc5)cc4)c4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline?
The InChIKey is NGHLQCMVKZRAKM-UHFFFAOYSA-H. The full InChI is InChI=1S/C50H40N2O2.4C10H9NO.2Al/c1-35-5-3-7-47(33-35)51(45-25-13-39(14-26-45)41-17-29-49(53)30-18-41)43-21-9-37(10-22-43)38-11-23-44(24-12-38)52(48-8-4-6-36(2)34-48)46-27-15-40(16-28-46)42-19-31-50(54)32-20-42;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h3-34,53-54H,1-2H3;4*2-6,12H,1H3;;/q;;;;;2*+3/p-6.
What are the key properties of N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline?
N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline has a molecular weight of 1385.55 g/mol, XLogP of 22.71, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-N-[4-[4-bis[(2-methylquinolin-8-yl)oxy]alumanyloxyphenyl]phenyl]-3-methylaniline is sourced from PubChem (CID 21349157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).