1-phenylbenzo[c]phenanthrene-5,6-dione

C24H14O2 — CID 10892989

IUPAC1-phenylbenzo[c]phenanthrene-5,6-dione
SMILESO=C1C(=O)c2ccc3ccccc3c2-c2c1cccc2-c1ccccc1
InChIInChI=1S/C24H14O2/c25-23-19-12-6-11-18(15-7-2-1-3-8-15)21(19)22-17-10-5-4-9-16(17)13-14-20(22)24(23)26/h1-14H
InChIKeyQWQYTUQTTKVMLK-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.55
Rot. Bonds1

About 1-phenylbenzo[c]phenanthrene-5,6-dione

1-phenylbenzo[c]phenanthrene-5,6-dione (PubChem CID 10892989) has the molecular formula C24H14O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-phenylbenzo[c]phenanthrene-5,6-dione.

Molecular Properties

Compound Name1-phenylbenzo[c]phenanthrene-5,6-dione
PubChem CID10892989
Molecular FormulaC24H14O2
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name1-phenylbenzo[c]phenanthrene-5,6-dione
SMILESO=C1C(=O)c2ccc3ccccc3c2-c2c1cccc2-c1ccccc1
InChIInChI=1S/C24H14O2/c25-23-19-12-6-11-18(15-7-2-1-3-8-15)21(19)22-17-10-5-4-9-16(17)13-14-20(22)24(23)26/h1-14H
InChIKeyQWQYTUQTTKVMLK-UHFFFAOYSA-N
XLogP5.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylnaphthalene
CID 11208267
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
benzo[c]fluoren-7-one
CID 22413
17-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762703
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
1-phenylbenzo[b]phenalen-7-one
CID 12547034
1,8-diphenylanthracene-9,10-dione
CID 12637584
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140529722
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083

Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzo[c]phenanthrene-5,6-dione?
The IUPAC name of 1-phenylbenzo[c]phenanthrene-5,6-dione (CID 10892989) is 1-phenylbenzo[c]phenanthrene-5,6-dione.
What is the SMILES notation for 1-phenylbenzo[c]phenanthrene-5,6-dione?
The canonical SMILES for 1-phenylbenzo[c]phenanthrene-5,6-dione is O=C1C(=O)c2ccc3ccccc3c2-c2c1cccc2-c1ccccc1.
What is the InChIKey of 1-phenylbenzo[c]phenanthrene-5,6-dione?
The InChIKey is QWQYTUQTTKVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2/c25-23-19-12-6-11-18(15-7-2-1-3-8-15)21(19)22-17-10-5-4-9-16(17)13-14-20(22)24(23)26/h1-14H.
What are the key properties of 1-phenylbenzo[c]phenanthrene-5,6-dione?
1-phenylbenzo[c]phenanthrene-5,6-dione has a molecular weight of 334.37 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzo[c]phenanthrene-5,6-dione is sourced from PubChem (CID 10892989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).