4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine

C34H21IN2O — CID 166850962

IUPAC4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine
SMILESIc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C34H21IN2O/c35-34-36-29(21-30(37-34)27-15-9-17-32-33(27)28-14-7-8-16-31(28)38-32)26-19-24(22-10-3-1-4-11-22)18-25(20-26)23-12-5-2-6-13-23/h1-21H
InChIKeyWDIRVOIUNCIXMK-UHFFFAOYSA-N
MW600.46 g/mol
LogP9.65
Rot. Bonds4

About 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine

4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine (PubChem CID 166850962) has the molecular formula C34H21IN2O and a molecular weight of 600.46 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine
PubChem CID166850962
Molecular FormulaC34H21IN2O
Molecular Weight600.46 g/mol
Exact Mass600.07
IUPAC Name4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine
SMILESIc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C34H21IN2O/c35-34-36-29(21-30(37-34)27-15-9-17-32-33(27)28-14-7-8-16-31(28)38-32)26-19-24(22-10-3-1-4-11-22)18-25(20-26)23-12-5-2-6-13-23/h1-21H
InChIKeyWDIRVOIUNCIXMK-UHFFFAOYSA-N
XLogP9.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.46
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzofuran-1-yl-2-(3,5-diphenylphenyl)-6-iodopyrimidine
CID 147270848
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine?
The IUPAC name of 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine (CID 166850962) is 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine.
What is the SMILES notation for 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine?
The canonical SMILES for 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine is Ic1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine?
The InChIKey is WDIRVOIUNCIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21IN2O/c35-34-36-29(21-30(37-34)27-15-9-17-32-33(27)28-14-7-8-16-31(28)38-32)26-19-24(22-10-3-1-4-11-22)18-25(20-26)23-12-5-2-6-13-23/h1-21H.
What are the key properties of 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine?
4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine has a molecular weight of 600.46 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-6-(3,5-diphenylphenyl)-2-iodopyrimidine is sourced from PubChem (CID 166850962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).