3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene

C34H32I2O4 — CID 177426544

IUPAC3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene
SMILESCOC1(c2ccc(I)cc2)C=CC(OC)(c2ccc(C3(OC)C=CC(OC)(c4ccc(I)cc4)C=C3)cc2)C=C1
InChIInChI=1S/C34H32I2O4/c1-37-31(17-21-33(39-3,22-18-31)27-9-13-29(35)14-10-27)25-5-7-26(8-6-25)32(38-2)19-23-34(40-4,24-20-32)28-11-15-30(36)16-12-28/h5-24H,1-4H3
InChIKeyZIJOHJMDZCUTSL-UHFFFAOYSA-N
MW758.43 g/mol
LogP7.91
Rot. Bonds8

About 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene

3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene (PubChem CID 177426544) has the molecular formula C34H32I2O4 and a molecular weight of 758.43 g/mol. Its IUPAC name is 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene.

Molecular Properties

Compound Name3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene
PubChem CID177426544
Molecular FormulaC34H32I2O4
Molecular Weight758.43 g/mol
Exact Mass758.04
IUPAC Name3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene
SMILESCOC1(c2ccc(I)cc2)C=CC(OC)(c2ccc(C3(OC)C=CC(OC)(c4ccc(I)cc4)C=C3)cc2)C=C1
InChIInChI=1S/C34H32I2O4/c1-37-31(17-21-33(39-3,22-18-31)27-9-13-29(35)14-10-27)25-5-7-26(8-6-25)32(38-2)19-23-34(40-4,24-20-32)28-11-15-30(36)16-12-28/h5-24H,1-4H3
InChIKeyZIJOHJMDZCUTSL-UHFFFAOYSA-N
XLogP7.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.43
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene 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 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene?
The IUPAC name of 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene (CID 177426544) is 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene.
What is the SMILES notation for 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene?
The canonical SMILES for 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene is COC1(c2ccc(I)cc2)C=CC(OC)(c2ccc(C3(OC)C=CC(OC)(c4ccc(I)cc4)C=C3)cc2)C=C1.
What is the InChIKey of 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene?
The InChIKey is ZIJOHJMDZCUTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32I2O4/c1-37-31(17-21-33(39-3,22-18-31)27-9-13-29(35)14-10-27)25-5-7-26(8-6-25)32(38-2)19-23-34(40-4,24-20-32)28-11-15-30(36)16-12-28/h5-24H,1-4H3.
What are the key properties of 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene?
3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene has a molecular weight of 758.43 g/mol, XLogP of 7.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-6-[4-[4-(4-iodophenyl)-1,4-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]-3,6-dimethoxycyclohexa-1,4-diene is sourced from PubChem (CID 177426544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).