3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione

C54H68N2O4 — CID 177412804

IUPAC3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione
SMILESCCCCCCCCCCCc1c2c(=O)n3c(/C=C/c4ccc(OC)cc4)ccc3c(CCCCCCCCCCC)c2c(=O)n2c(/C=C/c3ccc(OC)cc3)ccc12
InChIInChI=1S/C54H68N2O4/c1-5-7-9-11-13-15-17-19-21-23-47-49-39-33-43(31-25-41-27-35-45(59-3)36-28-41)55(49)54(58)52-48(24-22-20-18-16-14-12-10-8-6-2)50-40-34-44(56(50)53(57)51(47)52)32-26-42-29-37-46(60-4)38-30-42/h25-40H,5-24H2,1-4H3/b31-25+,32-26+
InChIKeyOEQWQWGPMYHTGT-YESHOFFLSA-N
MW809.15 g/mol
LogP14.01
Rot. Bonds26

About 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione

3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione (PubChem CID 177412804) has the molecular formula C54H68N2O4 and a molecular weight of 809.15 g/mol. Its IUPAC name is 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione.

Molecular Properties

Compound Name3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione
PubChem CID177412804
Molecular FormulaC54H68N2O4
Molecular Weight809.15 g/mol
Exact Mass808.52
IUPAC Name3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione
SMILESCCCCCCCCCCCc1c2c(=O)n3c(/C=C/c4ccc(OC)cc4)ccc3c(CCCCCCCCCCC)c2c(=O)n2c(/C=C/c3ccc(OC)cc3)ccc12
InChIInChI=1S/C54H68N2O4/c1-5-7-9-11-13-15-17-19-21-23-47-49-39-33-43(31-25-41-27-35-45(59-3)36-28-41)55(49)54(58)52-48(24-22-20-18-16-14-12-10-8-6-2)50-40-34-44(56(50)53(57)51(47)52)32-26-42-29-37-46(60-4)38-30-42/h25-40H,5-24H2,1-4H3/b31-25+,32-26+
InChIKeyOEQWQWGPMYHTGT-YESHOFFLSA-N
XLogP14.01
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.15
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione 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-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
3,9-bis[(E)-2-(3-methylphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione;6,12-bis(3-octyltridecyl)indolizino[7,6-f]indolizine-5,11-dione;6,12-di(nonyl)indolizino[7,6-f]indolizine-5,11-dione;6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione;4-[(E)-2-[9-[(E)-2-(4-isocyanophenyl)ethenyl]-5,11-dioxo-6,12-di(undecyl)indolizino[7,6-f]indolizin-3-yl]ethenyl]benzonitrile
CID 159372398
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione
CID 160566760
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
CID 72543298
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67601643
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
(Z)-3-[4-[1-hexyl-5-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]pyrrol-2-yl]phenyl]-2-isocyanoprop-2-enoic acid
CID 161190800

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione?
The IUPAC name of 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione (CID 177412804) is 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione.
What is the SMILES notation for 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione?
The canonical SMILES for 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione is CCCCCCCCCCCc1c2c(=O)n3c(/C=C/c4ccc(OC)cc4)ccc3c(CCCCCCCCCCC)c2c(=O)n2c(/C=C/c3ccc(OC)cc3)ccc12.
What is the InChIKey of 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione?
The InChIKey is OEQWQWGPMYHTGT-YESHOFFLSA-N. The full InChI is InChI=1S/C54H68N2O4/c1-5-7-9-11-13-15-17-19-21-23-47-49-39-33-43(31-25-41-27-35-45(59-3)36-28-41)55(49)54(58)52-48(24-22-20-18-16-14-12-10-8-6-2)50-40-34-44(56(50)53(57)51(47)52)32-26-42-29-37-46(60-4)38-30-42/h25-40H,5-24H2,1-4H3/b31-25+,32-26+.
What are the key properties of 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione?
3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione has a molecular weight of 809.15 g/mol, XLogP of 14.01, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione is sourced from PubChem (CID 177412804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).