N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide

C29H20I2N2O4 — CID 71761184

IUPACN-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc2c(c1)oc1c(I)cc(I)cc12)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H20I2N2O4/c30-16-12-22-21-11-9-18(15-26(21)37-29(22)23(31)13-16)33-28(35)7-3-6-27(34)32-17-8-10-20-19-4-1-2-5-24(19)36-25(20)14-17/h1-2,4-5,8-15H,3,6-7H2,(H,32,34)(H,33,35)
InChIKeyKJQDAIOEEHHBJK-UHFFFAOYSA-N
MW714.30 g/mol
LogP8.44
Rot. Bonds6

About N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide

N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide (PubChem CID 71761184) has the molecular formula C29H20I2N2O4 and a molecular weight of 714.30 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide
PubChem CID71761184
Molecular FormulaC29H20I2N2O4
Molecular Weight714.30 g/mol
Exact Mass713.95
IUPAC NameN-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc2c(c1)oc1c(I)cc(I)cc12)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H20I2N2O4/c30-16-12-22-21-11-9-18(15-26(21)37-29(22)23(31)13-16)33-28(35)7-3-6-27(34)32-17-8-10-20-19-4-1-2-5-24(19)36-25(20)14-17/h1-2,4-5,8-15H,3,6-7H2,(H,32,34)(H,33,35)
InChIKeyKJQDAIOEEHHBJK-UHFFFAOYSA-N
XLogP8.44
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.30
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 71761280
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CID 100553789
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
2,4-diiodoxanthen-9-one
CID 172504971
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
(2E)-N-dibenzofuran-3-yl-2-hydroxyiminoacetamide
CID 10999588
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide
CID 112826384
N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide?
The IUPAC name of N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide (CID 71761184) is N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide.
What is the SMILES notation for N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide?
The canonical SMILES for N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide is O=C(CCCC(=O)Nc1ccc2c(c1)oc1c(I)cc(I)cc12)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide?
The InChIKey is KJQDAIOEEHHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20I2N2O4/c30-16-12-22-21-11-9-18(15-26(21)37-29(22)23(31)13-16)33-28(35)7-3-6-27(34)32-17-8-10-20-19-4-1-2-5-24(19)36-25(20)14-17/h1-2,4-5,8-15H,3,6-7H2,(H,32,34)(H,33,35).
What are the key properties of N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide?
N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide has a molecular weight of 714.30 g/mol, XLogP of 8.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide is sourced from PubChem (CID 71761184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).