[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone

C32H18O4 — CID 71375763

IUPAC[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
SMILESO=C(c1ccc(C(=O)c2ccc3oc4ccccc4c3c2)cc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C32H18O4/c33-31(21-13-15-29-25(17-21)23-5-1-3-7-27(23)35-29)19-9-11-20(12-10-19)32(34)22-14-16-30-26(18-22)24-6-2-4-8-28(24)36-30/h1-18H
InChIKeyMPZAIHHADZBSQZ-UHFFFAOYSA-N
MW466.49 g/mol
LogP7.95
Rot. Bonds4

About [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone

[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone (PubChem CID 71375763) has the molecular formula C32H18O4 and a molecular weight of 466.49 g/mol. Its IUPAC name is [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone.

Molecular Properties

Compound Name[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
PubChem CID71375763
Molecular FormulaC32H18O4
Molecular Weight466.49 g/mol
Exact Mass466.12
IUPAC Name[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
SMILESO=C(c1ccc(C(=O)c2ccc3oc4ccccc4c3c2)cc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C32H18O4/c33-31(21-13-15-29-25(17-21)23-5-1-3-7-27(23)35-29)19-9-11-20(12-10-19)32(34)22-14-16-30-26(18-22)24-6-2-4-8-28(24)36-30/h1-18H
InChIKeyMPZAIHHADZBSQZ-UHFFFAOYSA-N
XLogP7.95
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone?
The IUPAC name of [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone (CID 71375763) is [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone.
What is the SMILES notation for [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone?
The canonical SMILES for [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone is O=C(c1ccc(C(=O)c2ccc3oc4ccccc4c3c2)cc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone?
The InChIKey is MPZAIHHADZBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18O4/c33-31(21-13-15-29-25(17-21)23-5-1-3-7-27(23)35-29)19-9-11-20(12-10-19)32(34)22-14-16-30-26(18-22)24-6-2-4-8-28(24)36-30/h1-18H.
What are the key properties of [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone?
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone has a molecular weight of 466.49 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone is sourced from PubChem (CID 71375763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).