1-iodo-2-phenyldibenzofuran

C18H11IO — CID 166694702

IUPAC1-iodo-2-phenyldibenzofuran
SMILESIc1c(-c2ccccc2)ccc2oc3ccccc3c12
InChIInChI=1S/C18H11IO/c19-18-13(12-6-2-1-3-7-12)10-11-16-17(18)14-8-4-5-9-15(14)20-16/h1-11H
InChIKeyOJJQDOJPLXLLGN-UHFFFAOYSA-N
MW370.19 g/mol
LogP5.86
Rot. Bonds1

About 1-iodo-2-phenyldibenzofuran

1-iodo-2-phenyldibenzofuran (PubChem CID 166694702) has the molecular formula C18H11IO and a molecular weight of 370.19 g/mol. Its IUPAC name is 1-iodo-2-phenyldibenzofuran.

Molecular Properties

Compound Name1-iodo-2-phenyldibenzofuran
PubChem CID166694702
Molecular FormulaC18H11IO
Molecular Weight370.19 g/mol
Exact Mass369.99
IUPAC Name1-iodo-2-phenyldibenzofuran
SMILESIc1c(-c2ccccc2)ccc2oc3ccccc3c12
InChIInChI=1S/C18H11IO/c19-18-13(12-6-2-1-3-7-12)10-11-16-17(18)14-8-4-5-9-15(14)20-16/h1-11H
InChIKeyOJJQDOJPLXLLGN-UHFFFAOYSA-N
XLogP5.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.19
LogP ≤ 55.86
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-phenyl-1-(3-phenyl-2-benzofuran-1-yl)dibenzofuran
CID 156552811
1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
CID 174263469
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629554
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
2-phenyl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 170658120
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 134164763
2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 163578711
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122415742

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-phenyldibenzofuran?
The IUPAC name of 1-iodo-2-phenyldibenzofuran (CID 166694702) is 1-iodo-2-phenyldibenzofuran.
What is the SMILES notation for 1-iodo-2-phenyldibenzofuran?
The canonical SMILES for 1-iodo-2-phenyldibenzofuran is Ic1c(-c2ccccc2)ccc2oc3ccccc3c12.
What is the InChIKey of 1-iodo-2-phenyldibenzofuran?
The InChIKey is OJJQDOJPLXLLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IO/c19-18-13(12-6-2-1-3-7-12)10-11-16-17(18)14-8-4-5-9-15(14)20-16/h1-11H.
What are the key properties of 1-iodo-2-phenyldibenzofuran?
1-iodo-2-phenyldibenzofuran has a molecular weight of 370.19 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-phenyldibenzofuran is sourced from PubChem (CID 166694702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).