1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene

C70H96O6 — CID 10748568

IUPAC1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene
SMILESCCCCCCOc1cc(/C=C/c2ccc(OCCCCCC)c3c(/C=C/c4cc(OCCCCCC)c5ccccc5c4OCCCCCC)ccc(OCCCCCC)c23)c(OCCCCCC)c2ccccc12
InChIInChI=1S/C70H96O6/c1-7-13-19-29-47-71-63-45-43-56(40-42-58-54-66(74-50-32-22-16-10-4)60-36-26-28-38-62(60)70(58)76-52-34-24-18-12-6)68-64(72-48-30-20-14-8-2)46-44-55(67(63)68)39-41-57-53-65(73-49-31-21-15-9-3)59-35-25-27-37-61(59)69(57)75-51-33-23-17-11-5/h25-28,35-46,53-54H,7-24,29-34,47-52H2,1-6H3/b41-39+,42-40+
InChIKeyVAYAITDWVVPHIR-LMXNTIJMSA-N
MW1033.53 g/mol
LogP21.24
Rot. Bonds40

About 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene

1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene (PubChem CID 10748568) has the molecular formula C70H96O6 and a molecular weight of 1033.53 g/mol. Its IUPAC name is 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene.

Molecular Properties

Compound Name1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene
PubChem CID10748568
Molecular FormulaC70H96O6
Molecular Weight1033.53 g/mol
Exact Mass1032.72
IUPAC Name1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene
SMILESCCCCCCOc1cc(/C=C/c2ccc(OCCCCCC)c3c(/C=C/c4cc(OCCCCCC)c5ccccc5c4OCCCCCC)ccc(OCCCCCC)c23)c(OCCCCCC)c2ccccc12
InChIInChI=1S/C70H96O6/c1-7-13-19-29-47-71-63-45-43-56(40-42-58-54-66(74-50-32-22-16-10-4)60-36-26-28-38-62(60)70(58)76-52-34-24-18-12-6)68-64(72-48-30-20-14-8-2)46-44-55(67(63)68)39-41-57-53-65(73-49-31-21-15-9-3)59-35-25-27-37-61(59)69(57)75-51-33-23-17-11-5/h25-28,35-46,53-54H,7-24,29-34,47-52H2,1-6H3/b41-39+,42-40+
InChIKeyVAYAITDWVVPHIR-LMXNTIJMSA-N
XLogP21.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds40
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.53
LogP ≤ 521.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-didodecoxynaphthalene
CID 21304164
9,10-dioctoxyanthracene
CID 21304201
3,4-dihexoxynaphthalen-1-ol
CID 19873008
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
1,5,9,10-tetra(tridecoxy)anthracene
CID 139930203
1,8,9,10-tetra(pentadecoxy)anthracene
CID 139930238
1,8,9,10-tetra(tetradecoxy)anthracene
CID 139930109
[4-[(E)-3-(2,3,4-trihexoxyphenyl)prop-2-enoyl]oxynaphthalen-1-yl] (E)-3-(2,3,4-trihexoxyphenyl)prop-2-enoate
CID 58914146
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
1,4-dibutoxynaphthalene
CID 22016411
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene?
The IUPAC name of 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene (CID 10748568) is 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene.
What is the SMILES notation for 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene?
The canonical SMILES for 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene is CCCCCCOc1cc(/C=C/c2ccc(OCCCCCC)c3c(/C=C/c4cc(OCCCCCC)c5ccccc5c4OCCCCCC)ccc(OCCCCCC)c23)c(OCCCCCC)c2ccccc12.
What is the InChIKey of 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene?
The InChIKey is VAYAITDWVVPHIR-LMXNTIJMSA-N. The full InChI is InChI=1S/C70H96O6/c1-7-13-19-29-47-71-63-45-43-56(40-42-58-54-66(74-50-32-22-16-10-4)60-36-26-28-38-62(60)70(58)76-52-34-24-18-12-6)68-64(72-48-30-20-14-8-2)46-44-55(67(63)68)39-41-57-53-65(73-49-31-21-15-9-3)59-35-25-27-37-61(59)69(57)75-51-33-23-17-11-5/h25-28,35-46,53-54H,7-24,29-34,47-52H2,1-6H3/b41-39+,42-40+.
What are the key properties of 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene?
1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene has a molecular weight of 1033.53 g/mol, XLogP of 21.24, 40 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene is sourced from PubChem (CID 10748568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).