7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one

C36H20N2O4 — CID 139365310

About 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one

7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one (PubChem CID 139365310) has the molecular formula C36H20N2O4 and a molecular weight of 544.57 g/mol. Its IUPAC name is 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one.

Molecular Properties

• Compound Name: 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one
• PubChem CID: 139365310
• Molecular Formula: C36H20N2O4
• Molecular Weight: 544.57 g/mol
• Exact Mass: 544.14
• IUPAC Name: 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one
• SMILES: O=c1ccc2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4ccc(=O)oc4c3)cc2o1
• InChI: InChI=1S/C36H20N2O4/c39-35-15-11-21-9-13-23(17-33(21)41-35)37-29-7-3-1-5-25(29)27-19-32-28(20-31(27)37)26-6-2-4-8-30(26)38(32)24-14-10-22-12-16-36(40)42-34(22)18-24/h1-20H
• InChIKey: RBZPEBWFUFFYKS-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 70.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.57
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one?

The IUPAC name of 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one (CID 139365310) is 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one.

What is the SMILES notation for 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one?

The canonical SMILES for 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one is O=c1ccc2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4ccc(=O)oc4c3)cc2o1.

What is the InChIKey of 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one?

The InChIKey is RBZPEBWFUFFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2O4/c39-35-15-11-21-9-13-23(17-33(21)41-35)37-29-7-3-1-5-25(29)27-19-32-28(20-31(27)37)26-6-2-4-8-30(26)38(32)24-14-10-22-12-16-36(40)42-34(22)18-24/h1-20H.

What are the key properties of 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one?

7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one has a molecular weight of 544.57 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one is sourced from PubChem (CID 139365310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).