7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H23Br2NO4 — CID 18855049

About 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855049) has the molecular formula C28H23Br2NO4 and a molecular weight of 597.30 g/mol. Its IUPAC name is 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18855049
• Molecular Formula: C28H23Br2NO4
• Molecular Weight: 597.30 g/mol
• Exact Mass: 595.00
• IUPAC Name: 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)CCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(Br)c2)c1
• InChI: InChI=1S/C28H23Br2NO4/c1-16(2)11-12-34-21-8-3-5-17(13-21)25-24-26(32)22-15-19(30)9-10-23(22)35-27(24)28(33)31(25)20-7-4-6-18(29)14-20/h3-10,13-16,25H,11-12H2,1-2H3
• InChIKey: LRDJFQQDEYHYRS-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.30
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855049) is 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)CCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(Br)c2)c1.

What is the InChIKey of 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is LRDJFQQDEYHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Br2NO4/c1-16(2)11-12-34-21-8-3-5-17(13-21)25-24-26(32)22-15-19(30)9-10-23(22)35-27(24)28(33)31(25)20-7-4-6-18(29)14-20/h3-10,13-16,25H,11-12H2,1-2H3.

What are the key properties of 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 597.30 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).