1,4-diphenylbenzene;1H-indole-2,3-dione

C26H19NO2 — CID 175350104

IUPAC1,4-diphenylbenzene;1H-indole-2,3-dione
SMILESO=C1Nc2ccccc2C1=O.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C8H5NO2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;10-7-5-3-1-2-4-6(5)9-8(7)11/h1-14H;1-4H,(H,9,10,11)
InChIKeyQTQAVHHHVKWLLQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.84
Rot. Bonds2

About 1,4-diphenylbenzene;1H-indole-2,3-dione

1,4-diphenylbenzene;1H-indole-2,3-dione (PubChem CID 175350104) has the molecular formula C26H19NO2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1,4-diphenylbenzene;1H-indole-2,3-dione.

Molecular Properties

Compound Name1,4-diphenylbenzene;1H-indole-2,3-dione
PubChem CID175350104
Molecular FormulaC26H19NO2
Molecular Weight377.44 g/mol
Exact Mass377.14
IUPAC Name1,4-diphenylbenzene;1H-indole-2,3-dione
SMILESO=C1Nc2ccccc2C1=O.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C8H5NO2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;10-7-5-3-1-2-4-6(5)9-8(7)11/h1-14H;1-4H,(H,9,10,11)
InChIKeyQTQAVHHHVKWLLQ-UHFFFAOYSA-N
XLogP5.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;1H-indole-2,3-dione?
The IUPAC name of 1,4-diphenylbenzene;1H-indole-2,3-dione (CID 175350104) is 1,4-diphenylbenzene;1H-indole-2,3-dione.
What is the SMILES notation for 1,4-diphenylbenzene;1H-indole-2,3-dione?
The canonical SMILES for 1,4-diphenylbenzene;1H-indole-2,3-dione is O=C1Nc2ccccc2C1=O.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;1H-indole-2,3-dione?
The InChIKey is QTQAVHHHVKWLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C8H5NO2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;10-7-5-3-1-2-4-6(5)9-8(7)11/h1-14H;1-4H,(H,9,10,11).
What are the key properties of 1,4-diphenylbenzene;1H-indole-2,3-dione?
1,4-diphenylbenzene;1H-indole-2,3-dione has a molecular weight of 377.44 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;1H-indole-2,3-dione is sourced from PubChem (CID 175350104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).