1-phenylbenzo[b]phenalen-7-one

C23H14O — CID 12547034

IUPAC1-phenylbenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C23H14O/c24-23-19-11-5-4-10-18(19)22-17(15-7-2-1-3-8-15)14-13-16-9-6-12-20(23)21(16)22/h1-14H
InChIKeyLXKMGEHDGRTGNG-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.72
Rot. Bonds1

About 1-phenylbenzo[b]phenalen-7-one

1-phenylbenzo[b]phenalen-7-one (PubChem CID 12547034) has the molecular formula C23H14O and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-phenylbenzo[b]phenalen-7-one.

Molecular Properties

Compound Name1-phenylbenzo[b]phenalen-7-one
PubChem CID12547034
Molecular FormulaC23H14O
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC Name1-phenylbenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C23H14O/c24-23-19-11-5-4-10-18(19)22-17(15-7-2-1-3-8-15)14-13-16-9-6-12-20(23)21(16)22/h1-14H
InChIKeyLXKMGEHDGRTGNG-UHFFFAOYSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
CID 154105159
4-(4-phenylphenyl)fluoren-9-one
CID 129258983
1-phenoxybenzo[b]phenalen-7-one
CID 154332188
1-aminooxybenzo[b]phenalen-7-one
CID 163979497
1,8-diphenylanthracene-9,10-dione
CID 12637584
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
3-[4-(hydroxymethyl)phenyl]acenaphthylene-1,2-dione
CID 174915839
benzo[a]phenalen-7-one;ethane
CID 90765972
6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene
CID 146321374
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128

Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzo[b]phenalen-7-one?
The IUPAC name of 1-phenylbenzo[b]phenalen-7-one (CID 12547034) is 1-phenylbenzo[b]phenalen-7-one.
What is the SMILES notation for 1-phenylbenzo[b]phenalen-7-one?
The canonical SMILES for 1-phenylbenzo[b]phenalen-7-one is O=C1c2ccccc2-c2c(-c3ccccc3)ccc3cccc1c23.
What is the InChIKey of 1-phenylbenzo[b]phenalen-7-one?
The InChIKey is LXKMGEHDGRTGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O/c24-23-19-11-5-4-10-18(19)22-17(15-7-2-1-3-8-15)14-13-16-9-6-12-20(23)21(16)22/h1-14H.
What are the key properties of 1-phenylbenzo[b]phenalen-7-one?
1-phenylbenzo[b]phenalen-7-one has a molecular weight of 306.36 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzo[b]phenalen-7-one is sourced from PubChem (CID 12547034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).