1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene

C42H22I8 — CID 118041830

IUPAC1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene
SMILESIc1cc(I)cc(-c2cc(-c3cc(I)cc(I)c3)cc(-c3cccc(-c4cc(-c5cc(I)cc(I)c5)cc(-c5cc(I)cc(I)c5)c4)c3)c2)c1
InChIInChI=1S/C42H22I8/c43-35-11-31(12-36(44)19-35)27-5-25(6-28(9-27)32-13-37(45)20-38(46)14-32)23-2-1-3-24(4-23)26-7-29(33-15-39(47)21-40(48)16-33)10-30(8-26)34-17-41(49)22-42(50)18-34/h1-22H
InChIKeyQEKMFZPIURILDV-UHFFFAOYSA-N
MW1541.87 g/mol
LogP16.53
Rot. Bonds6

About 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene

1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene (PubChem CID 118041830) has the molecular formula C42H22I8 and a molecular weight of 1541.87 g/mol. Its IUPAC name is 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene.

Molecular Properties

Compound Name1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene
PubChem CID118041830
Molecular FormulaC42H22I8
Molecular Weight1541.87 g/mol
Exact Mass1541.41
IUPAC Name1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene
SMILESIc1cc(I)cc(-c2cc(-c3cc(I)cc(I)c3)cc(-c3cccc(-c4cc(-c5cc(I)cc(I)c5)cc(-c5cc(I)cc(I)c5)c4)c3)c2)c1
InChIInChI=1S/C42H22I8/c43-35-11-31(12-36(44)19-35)27-5-25(6-28(9-27)32-13-37(45)20-38(46)14-32)23-2-1-3-24(4-23)26-7-29(33-15-39(47)21-40(48)16-33)10-30(8-26)34-17-41(49)22-42(50)18-34/h1-22H
InChIKeyQEKMFZPIURILDV-UHFFFAOYSA-N
XLogP16.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001541.87
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene 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-(3-iodophenyl)-4-(3-phenylphenyl)benzene
CID 12670522
CID 174404159
CID 174404159
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
CID 174338176
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-(3-fluorophenyl)-3-iodo-5-methylbenzene
CID 46312887
1-iodo-2-[3-(3-iodophenyl)phenyl]benzene
CID 139304916
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
4-(3-iodophenyl)benzenethiol
CID 86021802
1,4-diiodobenzene;1,3,5-triiodobenzene
CID 19861513
4-(3-iodophenyl)-2-(4-iodophenyl)-6-phenylpyridine
CID 144989296

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene?
The IUPAC name of 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene (CID 118041830) is 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene.
What is the SMILES notation for 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene?
The canonical SMILES for 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene is Ic1cc(I)cc(-c2cc(-c3cc(I)cc(I)c3)cc(-c3cccc(-c4cc(-c5cc(I)cc(I)c5)cc(-c5cc(I)cc(I)c5)c4)c3)c2)c1.
What is the InChIKey of 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene?
The InChIKey is QEKMFZPIURILDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22I8/c43-35-11-31(12-36(44)19-35)27-5-25(6-28(9-27)32-13-37(45)20-38(46)14-32)23-2-1-3-24(4-23)26-7-29(33-15-39(47)21-40(48)16-33)10-30(8-26)34-17-41(49)22-42(50)18-34/h1-22H.
What are the key properties of 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene?
1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene has a molecular weight of 1541.87 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-bis(3,5-diiodophenyl)phenyl]phenyl]-3,5-bis(3,5-diiodophenyl)benzene is sourced from PubChem (CID 118041830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).