2-(4-iodo-3,5-diphenylphenyl)dibenzofuran

C30H19IO — CID 177108172

IUPAC2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
SMILESIc1c(-c2ccccc2)cc(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1
InChIInChI=1S/C30H19IO/c31-30-25(20-9-3-1-4-10-20)18-23(19-26(30)21-11-5-2-6-12-21)22-15-16-29-27(17-22)24-13-7-8-14-28(24)32-29/h1-19H
InChIKeyDSQHWSDXDCXFFH-UHFFFAOYSA-N
MW522.39 g/mol
LogP9.19
Rot. Bonds3

About 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran

2-(4-iodo-3,5-diphenylphenyl)dibenzofuran (PubChem CID 177108172) has the molecular formula C30H19IO and a molecular weight of 522.39 g/mol. Its IUPAC name is 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran.

Molecular Properties

Compound Name2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
PubChem CID177108172
Molecular FormulaC30H19IO
Molecular Weight522.39 g/mol
Exact Mass522.05
IUPAC Name2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
SMILESIc1c(-c2ccccc2)cc(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1
InChIInChI=1S/C30H19IO/c31-30-25(20-9-3-1-4-10-20)18-23(19-26(30)21-11-5-2-6-12-21)22-15-16-29-27(17-22)24-13-7-8-14-28(24)32-29/h1-19H
InChIKeyDSQHWSDXDCXFFH-UHFFFAOYSA-N
XLogP9.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.39
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2,3-diphenyldibenzofuran
CID 12699263
2-[3-chrysen-6-yl-5-(12-phenylchrysen-6-yl)phenyl]dibenzofuran
CID 58037141
2-[3-(4-dibenzofuran-2-ylphenyl)-4-methylphenyl]-4,6-diphenylpyrimidine
CID 174327712
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran?
The IUPAC name of 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran (CID 177108172) is 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran.
What is the SMILES notation for 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran?
The canonical SMILES for 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran is Ic1c(-c2ccccc2)cc(-c2ccc3oc4ccccc4c3c2)cc1-c1ccccc1.
What is the InChIKey of 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran?
The InChIKey is DSQHWSDXDCXFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19IO/c31-30-25(20-9-3-1-4-10-20)18-23(19-26(30)21-11-5-2-6-12-21)22-15-16-29-27(17-22)24-13-7-8-14-28(24)32-29/h1-19H.
What are the key properties of 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran?
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran has a molecular weight of 522.39 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-3,5-diphenylphenyl)dibenzofuran is sourced from PubChem (CID 177108172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).