2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

C43H34N2O6 — CID 155264156

IUPAC2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
SMILESCC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(C2=CC=CCC2)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(C2=CC=CCC2)C3=O)cc1
InChIInChI=1S/C43H34N2O6/c1-43(2,27-13-17-31(18-14-27)50-33-21-23-35-37(25-33)41(48)44(39(35)46)29-9-5-3-6-10-29)28-15-19-32(20-16-28)51-34-22-24-36-38(26-34)42(49)45(40(36)47)30-11-7-4-8-12-30/h3-5,7,9,11,13-26H,6,8,10,12H2,1-2H3
InChIKeyPRNXFNDNSIDOGI-UHFFFAOYSA-N
MW674.75 g/mol
LogP9.26
Rot. Bonds8

About 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 155264156) has the molecular formula C43H34N2O6 and a molecular weight of 674.75 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
PubChem CID155264156
Molecular FormulaC43H34N2O6
Molecular Weight674.75 g/mol
Exact Mass674.24
IUPAC Name2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
SMILESCC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(C2=CC=CCC2)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(C2=CC=CCC2)C3=O)cc1
InChIInChI=1S/C43H34N2O6/c1-43(2,27-13-17-31(18-14-27)50-33-21-23-35-37(25-33)41(48)44(39(35)46)29-9-5-3-6-10-29)28-15-19-32(20-16-28)51-34-22-24-36-38(26-34)42(49)45(40(36)47)30-11-7-4-8-12-30/h3-5,7,9,11,13-26H,6,8,10,12H2,1-2H3
InChIKeyPRNXFNDNSIDOGI-UHFFFAOYSA-N
XLogP9.26
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.75
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (CID 155264156) is 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)N(C2=CC=CCC2)C3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(C2=CC=CCC2)C3=O)cc1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
The InChIKey is PRNXFNDNSIDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O6/c1-43(2,27-13-17-31(18-14-27)50-33-21-23-35-37(25-33)41(48)44(39(35)46)29-9-5-3-6-10-29)28-15-19-32(20-16-28)51-34-22-24-36-38(26-34)42(49)45(40(36)47)30-11-7-4-8-12-30/h3-5,7,9,11,13-26H,6,8,10,12H2,1-2H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?
2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 674.75 g/mol, XLogP of 9.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-5-[4-[2-[4-(2-cyclohexa-1,3-dien-1-yl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 155264156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).