5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))

C56H30N4O8W2 — CID 171415465

IUPAC5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3cc[c-]cc3)C4=O)cc2C(=O)N1c1cc[c-]cc1.O=C1c2ccccc2C(=O)N1c1cc[c-]cc1.O=C1c2ccccc2C(=O)N1c1cc[c-]cc1.[W+2].[W+2]
InChIInChI=1S/C28H14N2O4.2C14H8NO2.2W/c31-25-21-13-11-17(15-23(21)27(33)29(25)19-7-3-1-4-8-19)18-12-14-22-24(16-18)28(34)30(26(22)32)20-9-5-2-6-10-20;2*16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;;/h3-16H;2*2-9H;;/q-2;2*-1;2*+2
InChIKeyDMFOSMQXCKAAKJ-UHFFFAOYSA-N
MW1254.56 g/mol
LogP9.12
Rot. Bonds5

About 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))

5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)) (PubChem CID 171415465) has the molecular formula C56H30N4O8W2 and a molecular weight of 1254.56 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)).

Molecular Properties

Compound Name5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))
PubChem CID171415465
Molecular FormulaC56H30N4O8W2
Molecular Weight1254.56 g/mol
Exact Mass1254.11
IUPAC Name5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))
SMILESO=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3cc[c-]cc3)C4=O)cc2C(=O)N1c1cc[c-]cc1.O=C1c2ccccc2C(=O)N1c1cc[c-]cc1.O=C1c2ccccc2C(=O)N1c1cc[c-]cc1.[W+2].[W+2]
InChIInChI=1S/C28H14N2O4.2C14H8NO2.2W/c31-25-21-13-11-17(15-23(21)27(33)29(25)19-7-3-1-4-8-19)18-12-14-22-24(16-18)28(34)30(26(22)32)20-9-5-2-6-10-20;2*16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;;/h3-16H;2*2-9H;;/q-2;2*-1;2*+2
InChIKeyDMFOSMQXCKAAKJ-UHFFFAOYSA-N
XLogP9.12
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001254.56
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))?
The IUPAC name of 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)) (CID 171415465) is 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)).
What is the SMILES notation for 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))?
The canonical SMILES for 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)) is O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3cc[c-]cc3)C4=O)cc2C(=O)N1c1cc[c-]cc1.O=C1c2ccccc2C(=O)N1c1cc[c-]cc1.O=C1c2ccccc2C(=O)N1c1cc[c-]cc1.[W+2].[W+2].
What is the InChIKey of 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))?
The InChIKey is DMFOSMQXCKAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14N2O4.2C14H8NO2.2W/c31-25-21-13-11-17(15-23(21)27(33)29(25)19-7-3-1-4-8-19)18-12-14-22-24(16-18)28(34)30(26(22)32)20-9-5-2-6-10-20;2*16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10;;/h3-16H;2*2-9H;;/q-2;2*-1;2*+2.
What are the key properties of 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))?
5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)) has a molecular weight of 1254.56 g/mol, XLogP of 9.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+)) is sourced from PubChem (CID 171415465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).