5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one

C25H18BrNO2 — CID 171406306

IUPAC5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
SMILESCCn1c2cccc(Br)c2c2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc21
InChIInChI=1S/C25H18BrNO2/c1-2-27-19-15-9-14-18(26)22(19)23-20(16-10-5-3-6-11-16)21(25(28)29-24(23)27)17-12-7-4-8-13-17/h3-15H,2H2,1H3
InChIKeyRDUJJKCWSGGQIM-UHFFFAOYSA-N
MW444.33 g/mol
LogP6.86
Rot. Bonds3

About 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one

5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one (PubChem CID 171406306) has the molecular formula C25H18BrNO2 and a molecular weight of 444.33 g/mol. Its IUPAC name is 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one.

Molecular Properties

Compound Name5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
PubChem CID171406306
Molecular FormulaC25H18BrNO2
Molecular Weight444.33 g/mol
Exact Mass443.05
IUPAC Name5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
SMILESCCn1c2cccc(Br)c2c2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc21
InChIInChI=1S/C25H18BrNO2/c1-2-27-19-15-9-14-18(26)22(19)23-20(16-10-5-3-6-11-16)21(25(28)29-24(23)27)17-12-7-4-8-13-17/h3-15H,2H2,1H3
InChIKeyRDUJJKCWSGGQIM-UHFFFAOYSA-N
XLogP6.86
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
CID 171406300
4-bromo-3,6-diphenylpyran-2-one
CID 100914705
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
3-bromo-1-ethylquinolin-2-one
CID 116985609
1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
CID 141490009
1-bromo-9-ethylcarbazole
CID 19736997
1-ethyl-4,7-dihydroxy-3-phenylquinolin-2-one
CID 54716845
4,5-dibromo-9-(3-phenylphenyl)carbazole
CID 139379846
4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
CID 18887867
5-ethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511623
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
CID 139216427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
The IUPAC name of 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one (CID 171406306) is 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one.
What is the SMILES notation for 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
The canonical SMILES for 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one is CCn1c2cccc(Br)c2c2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc21.
What is the InChIKey of 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
The InChIKey is RDUJJKCWSGGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO2/c1-2-27-19-15-9-14-18(26)22(19)23-20(16-10-5-3-6-11-16)21(25(28)29-24(23)27)17-12-7-4-8-13-17/h3-15H,2H2,1H3.
What are the key properties of 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one has a molecular weight of 444.33 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one is sourced from PubChem (CID 171406306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).