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

C36H20N2O4 — CID 139365310

IUPAC7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one
SMILESO=c1ccc2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4ccc(=O)oc4c3)cc2o1
InChIInChI=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
InChIKeyRBZPEBWFUFFYKS-UHFFFAOYSA-N
MW544.57 g/mol
LogP8.09
Rot. Bonds2

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 Name7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one
PubChem CID139365310
Molecular FormulaC36H20N2O4
Molecular Weight544.57 g/mol
Exact Mass544.14
IUPAC Name7-[5-(2-oxochromen-7-yl)indolo[3,2-b]carbazol-11-yl]chromen-2-one
SMILESO=c1ccc2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4ccc(=O)oc4c3)cc2o1
InChIInChI=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
InChIKeyRBZPEBWFUFFYKS-UHFFFAOYSA-N
XLogP8.09
TPSA70.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.57
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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).