2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine

C28H17IN2O — CID 148581506

IUPAC2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine
SMILESIc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C28H17IN2O/c29-27-17-24(20-10-6-9-19(15-20)18-7-2-1-3-8-18)30-28(31-27)21-13-14-26-23(16-21)22-11-4-5-12-25(22)32-26/h1-17H
InChIKeyMYVGUPCWHOUDEN-UHFFFAOYSA-N
MW524.36 g/mol
LogP7.98
Rot. Bonds3

About 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine

2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine (PubChem CID 148581506) has the molecular formula C28H17IN2O and a molecular weight of 524.36 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine
PubChem CID148581506
Molecular FormulaC28H17IN2O
Molecular Weight524.36 g/mol
Exact Mass524.04
IUPAC Name2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine
SMILESIc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C28H17IN2O/c29-27-17-24(20-10-6-9-19(15-20)18-7-2-1-3-8-18)30-28(31-27)21-13-14-26-23(16-21)22-11-4-5-12-25(22)32-26/h1-17H
InChIKeyMYVGUPCWHOUDEN-UHFFFAOYSA-N
XLogP7.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.36
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine 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

4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-dibenzofuran-4-yl-6-iodo-2-[3-[4-[6-[6-iodo-2-(4-phenylphenyl)pyrimidin-4-yl]dibenzofuran-2-yl]phenyl]phenyl]pyrimidine
CID 166850961
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 167567887
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
2-[3-[16-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-4,6-diphenylpyrimidine
CID 67952807
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine (CID 148581506) is 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine is Ic1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine?
The InChIKey is MYVGUPCWHOUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17IN2O/c29-27-17-24(20-10-6-9-19(15-20)18-7-2-1-3-8-18)30-28(31-27)21-13-14-26-23(16-21)22-11-4-5-12-25(22)32-26/h1-17H.
What are the key properties of 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine?
2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine has a molecular weight of 524.36 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-iodo-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 148581506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).