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

C74H88N2O8 — CID 88530792

IUPAC3-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
SMILESCc1cc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(N(c5ccc(COC6CCCCO6)cc5)c5ccc(COC6CCCCO6)c(C)c5)cc4)cc3)cc2)ccc1COC1CCCCO1
InChIInChI=1S/C74H88N2O8/c1-53-47-67(37-23-57(53)51-83-71-17-9-13-45-79-71)75(63-33-19-55(20-34-63)49-81-69-15-7-11-43-77-69)65-39-29-61(30-40-65)73(3,4)59-25-27-60(28-26-59)74(5,6)62-31-41-66(42-32-62)76(64-35-21-56(22-36-64)50-82-70-16-8-12-44-78-70)68-38-24-58(54(2)48-68)52-84-72-18-10-14-46-80-72/h19-42,47-48,69-72H,7-18,43-46,49-52H2,1-6H3
InChIKeyIHIPDJSXTMKXPR-UHFFFAOYSA-N
MW1133.52 g/mol
LogP18.07
Rot. Bonds22

About 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

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 (PubChem CID 88530792) has the molecular formula C74H88N2O8 and a molecular weight of 1133.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID88530792
Molecular FormulaC74H88N2O8
Molecular Weight1133.52 g/mol
Exact Mass1132.65
IUPAC Name3-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
SMILESCc1cc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(N(c5ccc(COC6CCCCO6)cc5)c5ccc(COC6CCCCO6)c(C)c5)cc4)cc3)cc2)ccc1COC1CCCCO1
InChIInChI=1S/C74H88N2O8/c1-53-47-67(37-23-57(53)51-83-71-17-9-13-45-79-71)75(63-33-19-55(20-34-63)49-81-69-15-7-11-43-77-69)65-39-29-61(30-40-65)73(3,4)59-25-27-60(28-26-59)74(5,6)62-31-41-66(42-32-62)76(64-35-21-56(22-36-64)50-82-70-16-8-12-44-78-70)68-38-24-58(54(2)48-68)52-84-72-18-10-14-46-80-72/h19-42,47-48,69-72H,7-18,43-46,49-52H2,1-6H3
InChIKeyIHIPDJSXTMKXPR-UHFFFAOYSA-N
XLogP18.07
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.52
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 71233408
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
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-(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
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
1-N,1-N,4-N,4-N-tetrakis[4-(oxan-2-yloxymethyl)phenyl]anthracene-1,4-diamine
CID 90246764
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
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
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(N(c5ccc(COC6CCCCO6)cc5)c5ccc(COC6CCCCO6)c(C)c5)cc4)cc3)cc2)ccc1COC1CCCCO1.
What is the InChIKey of 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?
The InChIKey is IHIPDJSXTMKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H88N2O8/c1-53-47-67(37-23-57(53)51-83-71-17-9-13-45-79-71)75(63-33-19-55(20-34-63)49-81-69-15-7-11-43-77-69)65-39-29-61(30-40-65)73(3,4)59-25-27-60(28-26-59)74(5,6)62-31-41-66(42-32-62)76(64-35-21-56(22-36-64)50-82-70-16-8-12-44-78-70)68-38-24-58(54(2)48-68)52-84-72-18-10-14-46-80-72/h19-42,47-48,69-72H,7-18,43-46,49-52H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1133.52 g/mol, XLogP of 18.07, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88530792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).