1,4-bis(4-phenyliodanuidylphenoxy)benzene

C30H22I2O2-2 — CID 59061639

IUPAC1,4-bis(4-phenyliodanuidylphenoxy)benzene
SMILESc1ccc([I-]c2ccc(Oc3ccc(Oc4ccc([I-]c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H22I2O2/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h1-22H/q-2
InChIKeyJEAQGZKZVROHCL-UHFFFAOYSA-N
MW668.31 g/mol
LogP1.53
Rot. Bonds8

About 1,4-bis(4-phenyliodanuidylphenoxy)benzene

1,4-bis(4-phenyliodanuidylphenoxy)benzene (PubChem CID 59061639) has the molecular formula C30H22I2O2-2 and a molecular weight of 668.31 g/mol. Its IUPAC name is 1,4-bis(4-phenyliodanuidylphenoxy)benzene.

Molecular Properties

Compound Name1,4-bis(4-phenyliodanuidylphenoxy)benzene
PubChem CID59061639
Molecular FormulaC30H22I2O2-2
Molecular Weight668.31 g/mol
Exact Mass667.97
IUPAC Name1,4-bis(4-phenyliodanuidylphenoxy)benzene
SMILESc1ccc([I-]c2ccc(Oc3ccc(Oc4ccc([I-]c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H22I2O2/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h1-22H/q-2
InChIKeyJEAQGZKZVROHCL-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,10'-Oxybisphenoxarsine
CID 6017
1,4-Diphenoxybenzene
CID 520487
1,1'-Oxybis(4-iodobenzene)
CID 34360
Benzene, 1,3-bis(4-phenoxyphenoxy)-
CID 74223
Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)-
CID 83299
1-(Pentyloxy)-4-phenoxybenzene
CID 21883856
1-Butoxy-4-phenoxybenzene
CID 44562812
1,2,4,5-Tetrafluoro-3,6-diphenoxybenzene
CID 679714
1-Phenoxy-4-(3-prop-2-enoxypropoxy)benzene
CID 14353116
Stannane, bis(p-phenoxyphenyl)diphenyl-
CID 99353
Tetrakis(4-phenoxyphenyl)stannane
CID 201639
Chloro-(2,5-dimethoxyphenyl)-triphenyl-lambda5-phosphane
CID 118733306

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-phenyliodanuidylphenoxy)benzene?
The IUPAC name of 1,4-bis(4-phenyliodanuidylphenoxy)benzene (CID 59061639) is 1,4-bis(4-phenyliodanuidylphenoxy)benzene.
What is the SMILES notation for 1,4-bis(4-phenyliodanuidylphenoxy)benzene?
The canonical SMILES for 1,4-bis(4-phenyliodanuidylphenoxy)benzene is c1ccc([I-]c2ccc(Oc3ccc(Oc4ccc([I-]c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis(4-phenyliodanuidylphenoxy)benzene?
The InChIKey is JEAQGZKZVROHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22I2O2/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h1-22H/q-2.
What are the key properties of 1,4-bis(4-phenyliodanuidylphenoxy)benzene?
1,4-bis(4-phenyliodanuidylphenoxy)benzene has a molecular weight of 668.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-phenyliodanuidylphenoxy)benzene is sourced from PubChem (CID 59061639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).