7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H24BrNO6 — CID 18854645

IUPAC7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C28H24BrNO6/c1-14-6-8-18(10-15(14)2)30-24(16-11-21(33-3)26(35-5)22(12-16)34-4)23-25(31)19-13-17(29)7-9-20(19)36-27(23)28(30)32/h6-13,24H,1-5H3
InChIKeyKVVNKXAOOXVEOM-UHFFFAOYSA-N
MW550.41 g/mol
LogP5.95
Rot. Bonds5

About 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854645) has the molecular formula C28H24BrNO6 and a molecular weight of 550.41 g/mol. Its IUPAC name is 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854645
Molecular FormulaC28H24BrNO6
Molecular Weight550.41 g/mol
Exact Mass549.08
IUPAC Name7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C28H24BrNO6/c1-14-6-8-18(10-15(14)2)30-24(16-11-21(33-3)26(35-5)22(12-16)34-4)23-25(31)19-13-17(29)7-9-20(19)36-27(23)28(30)32/h6-13,24H,1-5H3
InChIKeyKVVNKXAOOXVEOM-UHFFFAOYSA-N
XLogP5.95
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854447
7-bromo-2-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854663
2-(4-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853291
7-bromo-2-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854465
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
7-bromo-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707698
7-bromo-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-bromophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854834
7-bromo-1-(4-bromophenyl)-2-(3-chloro-4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854453
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854436
7-bromo-2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854327
7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855663
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855850

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854645) is 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KVVNKXAOOXVEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO6/c1-14-6-8-18(10-15(14)2)30-24(16-11-21(33-3)26(35-5)22(12-16)34-4)23-25(31)19-13-17(29)7-9-20(19)36-27(23)28(30)32/h6-13,24H,1-5H3.
What are the key properties of 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 550.41 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).