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

C61H70N2O8 — CID 90246762

IUPAC3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
SMILESc1cc(COC2CCCCO2)cc(N(c2ccc(Cc3ccc(N(c4cccc(COC5CCCCO5)c4)c4cccc(COC5CCCCO5)c4)cc3)cc2)c2cccc(COC3CCCCO3)c2)c1
InChIInChI=1S/C61H70N2O8/c1-5-33-64-58(21-1)68-42-48-13-9-17-54(38-48)62(55-18-10-14-49(39-55)43-69-59-22-2-6-34-65-59)52-29-25-46(26-30-52)37-47-27-31-53(32-28-47)63(56-19-11-15-50(40-56)44-70-60-23-3-7-35-66-60)57-20-12-16-51(41-57)45-71-61-24-4-8-36-67-61/h9-20,25-32,38-41,58-61H,1-8,21-24,33-37,42-45H2
InChIKeyALVHZBSQZIZZNY-UHFFFAOYSA-N
MW959.24 g/mol
LogP14.39
Rot. Bonds20

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

3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline (PubChem CID 90246762) has the molecular formula C61H70N2O8 and a molecular weight of 959.24 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline.

Molecular Properties

Compound Name3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
PubChem CID90246762
Molecular FormulaC61H70N2O8
Molecular Weight959.24 g/mol
Exact Mass958.51
IUPAC Name3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
SMILESc1cc(COC2CCCCO2)cc(N(c2ccc(Cc3ccc(N(c4cccc(COC5CCCCO5)c4)c4cccc(COC5CCCCO5)c4)cc3)cc2)c2cccc(COC3CCCCO3)c2)c1
InChIInChI=1S/C61H70N2O8/c1-5-33-64-58(21-1)68-42-48-13-9-17-54(38-48)62(55-18-10-14-49(39-55)43-69-59-22-2-6-34-65-59)52-29-25-46(26-30-52)37-47-27-31-53(32-28-47)63(56-19-11-15-50(40-56)44-70-60-23-3-7-35-66-60)57-20-12-16-51(41-57)45-71-61-24-4-8-36-67-61/h9-20,25-32,38-41,58-61H,1-8,21-24,33-37,42-45H2
InChIKeyALVHZBSQZIZZNY-UHFFFAOYSA-N
XLogP14.39
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.24
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline?
The IUPAC name of 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline (CID 90246762) is 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline.
What is the SMILES notation for 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline?
The canonical SMILES for 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline is c1cc(COC2CCCCO2)cc(N(c2ccc(Cc3ccc(N(c4cccc(COC5CCCCO5)c4)c4cccc(COC5CCCCO5)c4)cc3)cc2)c2cccc(COC3CCCCO3)c2)c1.
What is the InChIKey of 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline?
The InChIKey is ALVHZBSQZIZZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H70N2O8/c1-5-33-64-58(21-1)68-42-48-13-9-17-54(38-48)62(55-18-10-14-49(39-55)43-69-59-22-2-6-34-65-59)52-29-25-46(26-30-52)37-47-27-31-53(32-28-47)63(56-19-11-15-50(40-56)44-70-60-23-3-7-35-66-60)57-20-12-16-51(41-57)45-71-61-24-4-8-36-67-61/h9-20,25-32,38-41,58-61H,1-8,21-24,33-37,42-45H2.
What are the key properties of 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline?
3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline has a molecular weight of 959.24 g/mol, XLogP of 14.39, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline is sourced from PubChem (CID 90246762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).