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

C62H72N2O8 — CID 90246761

IUPAC4-(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
SMILESCC(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C62H72N2O8/c1-46(51-22-34-57(35-23-51)63(53-26-14-47(15-27-53)42-69-59-10-2-6-38-65-59)54-28-16-48(17-29-54)43-70-60-11-3-7-39-66-60)52-24-36-58(37-25-52)64(55-30-18-49(19-31-55)44-71-61-12-4-8-40-67-61)56-32-20-50(21-33-56)45-72-62-13-5-9-41-68-62/h14-37,46,59-62H,2-13,38-45H2,1H3
InChIKeyIAXFBVIETQOTNA-UHFFFAOYSA-N
MW973.26 g/mol
LogP14.95
Rot. Bonds20

About 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

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 (PubChem CID 90246761) has the molecular formula C62H72N2O8 and a molecular weight of 973.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID90246761
Molecular FormulaC62H72N2O8
Molecular Weight973.26 g/mol
Exact Mass972.53
IUPAC Name4-(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
SMILESCC(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C62H72N2O8/c1-46(51-22-34-57(35-23-51)63(53-26-14-47(15-27-53)42-69-59-10-2-6-38-65-59)54-28-16-48(17-29-54)43-70-60-11-3-7-39-66-60)52-24-36-58(37-25-52)64(55-30-18-49(19-31-55)44-71-61-12-4-8-40-67-61)56-32-20-50(21-33-56)45-72-62-13-5-9-41-68-62/h14-37,46,59-62H,2-13,38-45H2,1H3
InChIKeyIAXFBVIETQOTNA-UHFFFAOYSA-N
XLogP14.95
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.26
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 71233408
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
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
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)sulfanium
CID 163530015
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)silanylium
CID 143652395
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
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
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
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-methylphenyl)methoxy]oxolane
CID 11745476

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1)c1ccc(N(c2ccc(COC3CCCCO3)cc2)c2ccc(COC3CCCCO3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IAXFBVIETQOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H72N2O8/c1-46(51-22-34-57(35-23-51)63(53-26-14-47(15-27-53)42-69-59-10-2-6-38-65-59)54-28-16-48(17-29-54)43-70-60-11-3-7-39-66-60)52-24-36-58(37-25-52)64(55-30-18-49(19-31-55)44-71-61-12-4-8-40-67-61)56-32-20-50(21-33-56)45-72-62-13-5-9-41-68-62/h14-37,46,59-62H,2-13,38-45H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 973.26 g/mol, XLogP of 14.95, 20 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-[1-[4-[4-(oxan-2-yloxymethyl)-N-[4-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]ethyl]phenyl]-N-[4-(oxan-2-yloxymethyl)phenyl]aniline is sourced from PubChem (CID 90246761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).