4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline

C68H92N2O5 — CID 18996788

IUPAC4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
SMILESCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(Oc3ccc(N(c4ccc(OCCCCCCCC)cc4)c4ccc(OCCCCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H92N2O5/c1-5-9-13-17-21-25-53-71-63-41-29-57(30-42-63)69(58-31-43-64(44-32-58)72-54-26-22-18-14-10-6-2)61-37-49-67(50-38-61)75-68-51-39-62(40-52-68)70(59-33-45-65(46-34-59)73-55-27-23-19-15-11-7-3)60-35-47-66(48-36-60)74-56-28-24-20-16-12-8-4/h29-52H,5-28,53-56H2,1-4H3
InChIKeyNEYUGNOBEVCGML-UHFFFAOYSA-N
MW1017.49 g/mol
LogP21.38
Rot. Bonds40

About 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline

4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline (PubChem CID 18996788) has the molecular formula C68H92N2O5 and a molecular weight of 1017.49 g/mol. Its IUPAC name is 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline.

Molecular Properties

Compound Name4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
PubChem CID18996788
Molecular FormulaC68H92N2O5
Molecular Weight1017.49 g/mol
Exact Mass1016.70
IUPAC Name4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
SMILESCCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(Oc3ccc(N(c4ccc(OCCCCCCCC)cc4)c4ccc(OCCCCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H92N2O5/c1-5-9-13-17-21-25-53-71-63-41-29-57(30-42-63)69(58-31-43-64(44-32-58)72-54-26-22-18-14-10-6-2)61-37-49-67(50-38-61)75-68-51-39-62(40-52-68)70(59-33-45-65(46-34-59)73-55-27-23-19-15-11-7-3)60-35-47-66(48-36-60)74-56-28-24-20-16-12-8-4/h29-52H,5-28,53-56H2,1-4H3
InChIKeyNEYUGNOBEVCGML-UHFFFAOYSA-N
XLogP21.38
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds40
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.49
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline with MolForge

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Related Compounds

4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-hexoxy-N,N-dimethylaniline
CID 19782341
4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361
N-(4-hexoxyphenyl)-4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)aniline
CID 118283118
1,4-dipentoxybenzene
CID 18314717
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline?
The IUPAC name of 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline (CID 18996788) is 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline.
What is the SMILES notation for 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline?
The canonical SMILES for 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline is CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(Oc3ccc(N(c4ccc(OCCCCCCCC)cc4)c4ccc(OCCCCCCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline?
The InChIKey is NEYUGNOBEVCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H92N2O5/c1-5-9-13-17-21-25-53-71-63-41-29-57(30-42-63)69(58-31-43-64(44-32-58)72-54-26-22-18-14-10-6-2)61-37-49-67(50-38-61)75-68-51-39-62(40-52-68)70(59-33-45-65(46-34-59)73-55-27-23-19-15-11-7-3)60-35-47-66(48-36-60)74-56-28-24-20-16-12-8-4/h29-52H,5-28,53-56H2,1-4H3.
What are the key properties of 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline?
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline has a molecular weight of 1017.49 g/mol, XLogP of 21.38, 40 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline is sourced from PubChem (CID 18996788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).