4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

C23H18N2O3 — CID 142743521

IUPAC4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
SMILESO=C1C=CC2C3C(=O)N(c4ccccc4)C(=O)C3C1N2C=Cc1ccccc1
InChIInChI=1S/C23H18N2O3/c26-18-12-11-17-19-20(21(18)24(17)14-13-15-7-3-1-4-8-15)23(28)25(22(19)27)16-9-5-2-6-10-16/h1-14,17,19-21H
InChIKeyMNZNTCBLMWUKKV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.65
Rot. Bonds3

About 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione (PubChem CID 142743521) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione.

Molecular Properties

Compound Name4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
PubChem CID142743521
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
SMILESO=C1C=CC2C3C(=O)N(c4ccccc4)C(=O)C3C1N2C=Cc1ccccc1
InChIInChI=1S/C23H18N2O3/c26-18-12-11-17-19-20(21(18)24(17)14-13-15-7-3-1-4-8-15)23(28)25(22(19)27)16-9-5-2-6-10-16/h1-14,17,19-21H
InChIKeyMNZNTCBLMWUKKV-UHFFFAOYSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione?
The IUPAC name of 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione (CID 142743521) is 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione.
What is the SMILES notation for 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione?
The canonical SMILES for 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione is O=C1C=CC2C3C(=O)N(c4ccccc4)C(=O)C3C1N2C=Cc1ccccc1.
What is the InChIKey of 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione?
The InChIKey is MNZNTCBLMWUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-18-12-11-17-19-20(21(18)24(17)14-13-15-7-3-1-4-8-15)23(28)25(22(19)27)16-9-5-2-6-10-16/h1-14,17,19-21H.
What are the key properties of 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione?
4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione has a molecular weight of 370.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-11-(2-phenylethenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione is sourced from PubChem (CID 142743521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).