N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline

C196H236N6O24 — CID 162135478

IUPACN-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
SMILESCC(C)CC(C)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.CCC(CC)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.CCCC(C)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C66H80N2O8.2C65H78N2O8/c1-49(2)44-66(3,54-24-36-60(37-25-54)67(56-28-16-50(17-29-56)45-73-62-12-4-8-40-69-62)57-30-18-51(19-31-57)46-74-63-13-5-9-41-70-63)55-26-38-61(39-27-55)68(58-32-20-52(21-33-58)47-75-64-14-6-10-42-71-64)59-34-22-53(23-35-59)48-76-65-15-7-11-43-72-65;1-3-40-65(2,53-24-36-59(37-25-53)66(55-28-16-49(17-29-55)45-72-61-12-4-8-41-68-61)56-30-18-50(19-31-56)46-73-62-13-5-9-42-69-62)54-26-38-60(39-27-54)67(57-32-20-51(21-33-57)47-74-63-14-6-10-43-70-63)58-34-22-52(23-35-58)48-75-64-15-7-11-44-71-64;1-3-65(4-2,53-25-37-59(38-26-53)66(55-29-17-49(18-30-55)45-72-61-13-5-9-41-68-61)56-31-19-50(20-32-56)46-73-62-14-6-10-42-69-62)54-27-39-60(40-28-54)67(57-33-21-51(22-34-57)47-74-63-15-7-11-43-70-63)58-35-23-52(24-36-58)48-75-64-16-8-12-44-71-64/h16-39,49,62-65H,4-15,40-48H2,1-3H3;16-39,61-64H,3-15,40-48H2,1-2H3;17-40,61-64H,3-16,41-48H2,1-2H3
InChIKeyZJFKQSZOZQQIBA-UHFFFAOYSA-N
MW3060.06 g/mol
LogP47.96
Rot. Bonds66

About N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline

N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline (PubChem CID 162135478) has the molecular formula C196H236N6O24 and a molecular weight of 3060.06 g/mol. Its IUPAC name is N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
PubChem CID162135478
Molecular FormulaC196H236N6O24
Molecular Weight3060.06 g/mol
Exact Mass3057.74
IUPAC NameN-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
SMILESCC(C)CC(C)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.CCC(CC)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.CCCC(C)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C66H80N2O8.2C65H78N2O8/c1-49(2)44-66(3,54-24-36-60(37-25-54)67(56-28-16-50(17-29-56)45-73-62-12-4-8-40-69-62)57-30-18-51(19-31-57)46-74-63-13-5-9-41-70-63)55-26-38-61(39-27-55)68(58-32-20-52(21-33-58)47-75-64-14-6-10-42-71-64)59-34-22-53(23-35-59)48-76-65-15-7-11-43-72-65;1-3-40-65(2,53-24-36-59(37-25-53)66(55-28-16-49(17-29-55)45-72-61-12-4-8-41-68-61)56-30-18-50(19-31-56)46-73-62-13-5-9-42-69-62)54-26-38-60(39-27-54)67(57-32-20-51(21-33-57)47-74-63-14-6-10-43-70-63)58-34-22-52(23-35-58)48-75-64-15-7-11-44-71-64;1-3-65(4-2,53-25-37-59(38-26-53)66(55-29-17-49(18-30-55)45-72-61-13-5-9-41-68-61)56-31-19-50(20-32-56)46-73-62-14-6-10-42-69-62)54-27-39-60(40-28-54)67(57-33-21-51(22-34-57)47-74-63-15-7-11-43-70-63)58-35-23-52(24-36-58)48-75-64-16-8-12-44-71-64/h16-39,49,62-65H,4-15,40-48H2,1-3H3;16-39,61-64H,3-15,40-48H2,1-2H3;17-40,61-64H,3-16,41-48H2,1-2H3
InChIKeyZJFKQSZOZQQIBA-UHFFFAOYSA-N
XLogP47.96
TPSA240.96 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds66
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003060.06
LogP ≤ 547.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline?
The IUPAC name of N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline (CID 162135478) is N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline?
The canonical SMILES for N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline is CC(C)CC(C)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.CCC(CC)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.CCCC(C)(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.
What is the InChIKey of N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline?
The InChIKey is ZJFKQSZOZQQIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H80N2O8.2C65H78N2O8/c1-49(2)44-66(3,54-24-36-60(37-25-54)67(56-28-16-50(17-29-56)45-73-62-12-4-8-40-69-62)57-30-18-51(19-31-57)46-74-63-13-5-9-41-70-63)55-26-38-61(39-27-55)68(58-32-20-52(21-33-58)47-75-64-14-6-10-42-71-64)59-34-22-53(23-35-59)48-76-65-15-7-11-43-72-65;1-3-40-65(2,53-24-36-59(37-25-53)66(55-28-16-49(17-29-55)45-72-61-12-4-8-41-68-61)56-30-18-50(19-31-56)46-73-62-13-5-9-42-69-62)54-26-38-60(39-27-54)67(57-32-20-51(21-33-57)47-74-63-14-6-10-43-70-63)58-34-22-52(23-35-58)48-75-64-15-7-11-44-71-64;1-3-65(4-2,53-25-37-59(38-26-53)66(55-29-17-49(18-30-55)45-72-61-13-5-9-41-68-61)56-31-19-50(20-32-56)46-73-62-14-6-10-42-69-62)54-27-39-60(40-28-54)67(57-33-21-51(22-34-57)47-74-63-15-7-11-43-70-63)58-35-23-52(24-36-58)48-75-64-16-8-12-44-71-64/h16-39,49,62-65H,4-15,40-48H2,1-3H3;16-39,61-64H,3-15,40-48H2,1-2H3;17-40,61-64H,3-16,41-48H2,1-2H3.
What are the key properties of N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline?
N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline has a molecular weight of 3060.06 g/mol, XLogP of 47.96, 66 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methyl-2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline;4-(oxan-2-yloxymethyl)-N-[4-[3-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]pentan-3-yl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline is sourced from PubChem (CID 162135478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).