6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C33H24F3NO4 — CID 18857011

About 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857011) has the molecular formula C33H24F3NO4 and a molecular weight of 555.55 g/mol. Its IUPAC name is 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18857011
• Molecular Formula: C33H24F3NO4
• Molecular Weight: 555.55 g/mol
• Exact Mass: 555.17
• IUPAC Name: 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(OCc2ccccc2)c1)N(c1cccc(C(F)(F)F)c1)C3=O
• InChI: InChI=1S/C33H24F3NO4/c1-19-14-26-27(15-20(19)2)41-31-28(30(26)38)29(37(32(31)39)24-12-7-11-23(17-24)33(34,35)36)22-10-6-13-25(16-22)40-18-21-8-4-3-5-9-21/h3-17,29H,18H2,1-2H3
• InChIKey: NRDRGACJQXUQMH-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.55
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857011) is 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(OCc2ccccc2)c1)N(c1cccc(C(F)(F)F)c1)C3=O.

What is the InChIKey of 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is NRDRGACJQXUQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F3NO4/c1-19-14-26-27(15-20(19)2)41-31-28(30(26)38)29(37(32(31)39)24-12-7-11-23(17-24)33(34,35)36)22-10-6-13-25(16-22)40-18-21-8-4-3-5-9-21/h3-17,29H,18H2,1-2H3.

What are the key properties of 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 555.55 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).