(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone

C38H24O3 — CID 13010524

IUPAC(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2cc1C(=O)c1ccccc1
InChIInChI=1S/C38H24O3/c39-35(25-13-5-1-6-14-25)31-21-29-23-33-34(24-30(29)22-32(31)36(40)26-15-7-2-8-16-26)38(28-19-11-4-12-20-28)41-37(33)27-17-9-3-10-18-27/h1-24H
InChIKeyRLSVHAAKKQNFST-UHFFFAOYSA-N
MW528.61 g/mol
LogP9.38
Rot. Bonds6

About (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone

(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone (PubChem CID 13010524) has the molecular formula C38H24O3 and a molecular weight of 528.61 g/mol. Its IUPAC name is (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
PubChem CID13010524
Molecular FormulaC38H24O3
Molecular Weight528.61 g/mol
Exact Mass528.17
IUPAC Name(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2cc1C(=O)c1ccccc1
InChIInChI=1S/C38H24O3/c39-35(25-13-5-1-6-14-25)31-21-29-23-33-34(24-30(29)22-32(31)36(40)26-15-7-2-8-16-26)38(28-19-11-4-12-20-28)41-37(33)27-17-9-3-10-18-27/h1-24H
InChIKeyRLSVHAAKKQNFST-UHFFFAOYSA-N
XLogP9.38
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514
1,3,5,6-tetraphenyl-2-benzofuran
CID 22457278
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355
(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
CID 134835808
5-bromo-1,3-diphenyl-2-benzofuran
CID 71084545
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone
CID 174374414
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
diphenylmethanone
CID 3102
phenyl-(4-phenylphenyl)methanone
CID 155775877
anthracene;diphenylmethanone
CID 87408663

Frequently Asked Questions

What is the IUPAC name of (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone?
The IUPAC name of (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone (CID 13010524) is (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone.
What is the SMILES notation for (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone?
The canonical SMILES for (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone is O=C(c1ccccc1)c1cc2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2cc1C(=O)c1ccccc1.
What is the InChIKey of (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone?
The InChIKey is RLSVHAAKKQNFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O3/c39-35(25-13-5-1-6-14-25)31-21-29-23-33-34(24-30(29)22-32(31)36(40)26-15-7-2-8-16-26)38(28-19-11-4-12-20-28)41-37(33)27-17-9-3-10-18-27/h1-24H.
What are the key properties of (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone?
(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone has a molecular weight of 528.61 g/mol, XLogP of 9.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone is sourced from PubChem (CID 13010524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).