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

C72H76N2O8 — CID 89394119

IUPAC4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
SMILESc1cc(-c2ccc(N(c3ccc(COC4CCCCO4)cc3)c3ccc(-c4ccc(N(c5ccc(COC6CCCCO6)cc5)c5ccc(-c6ccc(COC7CCCCO7)cc6)cc5)cc4)cc3)cc2)ccc1COC1CCCCO1
InChIInChI=1S/C72H76N2O8/c1-5-45-75-69(9-1)79-49-53-13-21-57(22-14-53)59-25-37-65(38-26-59)73(63-33-17-55(18-34-63)51-81-71-11-3-7-47-77-71)67-41-29-61(30-42-67)62-31-43-68(44-32-62)74(64-35-19-56(20-36-64)52-82-72-12-4-8-48-78-72)66-39-27-60(28-40-66)58-23-15-54(16-24-58)50-80-70-10-2-6-46-76-70/h13-44,69-72H,1-12,45-52H2
InChIKeyFVXLZKGMCWWLPB-UHFFFAOYSA-N
MW1097.41 g/mol
LogP17.80
Rot. Bonds21

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

4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline (PubChem CID 89394119) has the molecular formula C72H76N2O8 and a molecular weight of 1097.41 g/mol. Its IUPAC name is 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
PubChem CID89394119
Molecular FormulaC72H76N2O8
Molecular Weight1097.41 g/mol
Exact Mass1096.56
IUPAC Name4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
SMILESc1cc(-c2ccc(N(c3ccc(COC4CCCCO4)cc3)c3ccc(-c4ccc(N(c5ccc(COC6CCCCO6)cc5)c5ccc(-c6ccc(COC7CCCCO7)cc6)cc5)cc4)cc3)cc2)ccc1COC1CCCCO1
InChIInChI=1S/C72H76N2O8/c1-5-45-75-69(9-1)79-49-53-13-21-57(22-14-53)59-25-37-65(38-26-59)73(63-33-17-55(18-34-63)51-81-71-11-3-7-47-77-71)67-41-29-61(30-42-67)62-31-43-68(44-32-62)74(64-35-19-56(20-36-64)52-82-72-12-4-8-48-78-72)66-39-27-60(28-40-66)58-23-15-54(16-24-58)50-80-70-10-2-6-46-76-70/h13-44,69-72H,1-12,45-52H2
InChIKeyFVXLZKGMCWWLPB-UHFFFAOYSA-N
XLogP17.80
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.41
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-(oxan-2-yloxymethyl)-N-[4-[1-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]ethyl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246761
3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 71233408
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
1-N,1-N,4-N,4-N-tetrakis[4-(oxan-2-yloxymethyl)phenyl]anthracene-1,4-diamine
CID 90246764
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
3-methyl-N-[4-[2-[4-[2-[4-[N-[3-methyl-4-(oxan-2-yloxymethyl)phenyl]-4-(oxan-2-yloxymethyl)anilino]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 88530792
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
sodium;4-[2-(4-aminophenyl)ethyl]aniline;2-[(4-bromophenyl)methoxy]oxane;methane;2-methylpropan-2-olate;4-[2-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]ethyl]-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 162090938
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
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline?
The IUPAC name of 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline (CID 89394119) is 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline is c1cc(-c2ccc(N(c3ccc(COC4CCCCO4)cc3)c3ccc(-c4ccc(N(c5ccc(COC6CCCCO6)cc5)c5ccc(-c6ccc(COC7CCCCO7)cc6)cc5)cc4)cc3)cc2)ccc1COC1CCCCO1.
What is the InChIKey of 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline?
The InChIKey is FVXLZKGMCWWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H76N2O8/c1-5-45-75-69(9-1)79-49-53-13-21-57(22-14-53)59-25-37-65(38-26-59)73(63-33-17-55(18-34-63)51-81-71-11-3-7-47-77-71)67-41-29-61(30-42-67)62-31-43-68(44-32-62)74(64-35-19-56(20-36-64)52-82-72-12-4-8-48-78-72)66-39-27-60(28-40-66)58-23-15-54(16-24-58)50-80-70-10-2-6-46-76-70/h13-44,69-72H,1-12,45-52H2.
What are the key properties of 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline?
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline has a molecular weight of 1097.41 g/mol, XLogP of 17.80, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline is sourced from PubChem (CID 89394119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).