7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one

C26H16O3 — CID 122393898

IUPAC7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c2oc3ccccc3c2ccc1=O
InChIInChI=1S/C26H16O3/c27-21-16-15-20-19-13-7-8-14-22(19)29-26(20)23(17-9-3-1-4-10-17)24(21)25(28)18-11-5-2-6-12-18/h1-16H
InChIKeyFAIIJEQLSBZOHS-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.84
Rot. Bonds3

About 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one

7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one (PubChem CID 122393898) has the molecular formula C26H16O3 and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one.

Molecular Properties

Compound Name7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one
PubChem CID122393898
Molecular FormulaC26H16O3
Molecular Weight376.41 g/mol
Exact Mass376.11
IUPAC Name7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c2oc3ccccc3c2ccc1=O
InChIInChI=1S/C26H16O3/c27-21-16-15-20-19-13-7-8-14-22(19)29-26(20)23(17-9-3-1-4-10-17)24(21)25(28)18-11-5-2-6-12-18/h1-16H
InChIKeyFAIIJEQLSBZOHS-UHFFFAOYSA-N
XLogP5.84
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-4-phenylchromen-2-one
CID 629843
7-benzoyl-8-phenylcyclohepta[b]furan-6-one
CID 122393884
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid
CID 142017929
(4-phenylphenyl)-(2-pyridin-2-yl-1-benzofuran-3-yl)methanone
CID 122208629
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
3-acetyl-4-phenylchromen-2-one
CID 56965161
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one?
The IUPAC name of 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one (CID 122393898) is 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one.
What is the SMILES notation for 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one?
The canonical SMILES for 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one is O=C(c1ccccc1)c1c(-c2ccccc2)c2oc3ccccc3c2ccc1=O.
What is the InChIKey of 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one?
The InChIKey is FAIIJEQLSBZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O3/c27-21-16-15-20-19-13-7-8-14-22(19)29-26(20)23(17-9-3-1-4-10-17)24(21)25(28)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one?
7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one has a molecular weight of 376.41 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one is sourced from PubChem (CID 122393898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).