1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H31NO3 — CID 18856545

About 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856545) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856545
• Molecular Formula: C31H31NO3
• Molecular Weight: 465.59 g/mol
• Exact Mass: 465.23
• IUPAC Name: 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1C
• InChI: InChI=1S/C31H31NO3/c1-17-8-13-23(14-18(17)2)32-27(21-9-11-22(12-10-21)31(5,6)7)26-28(33)24-15-19(3)20(4)16-25(24)35-29(26)30(32)34/h8-16,27H,1-7H3
• InChIKey: QLCGCIMGVCOSHO-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.59
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856545) is 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)cc1C.

What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is QLCGCIMGVCOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO3/c1-17-8-13-23(14-18(17)2)32-27(21-9-11-22(12-10-21)31(5,6)7)26-28(33)24-15-19(3)20(4)16-25(24)35-29(26)30(32)34/h8-16,27H,1-7H3.

What are the key properties of 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 465.59 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).