6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione

C30H25Cl2N3O3 — CID 129120408

About 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione (PubChem CID 129120408) has the molecular formula C30H25Cl2N3O3 and a molecular weight of 546.45 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione.

Molecular Properties

• Compound Name: 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
• PubChem CID: 129120408
• Molecular Formula: C30H25Cl2N3O3
• Molecular Weight: 546.45 g/mol
• Exact Mass: 545.13
• IUPAC Name: 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione
• SMILES: COc1ccccc1-n1cc2c(c1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C30H25Cl2N3O3/c1-16(2)27-26-20(15-34(27)23-7-5-6-8-25(23)38-4)28(36)35(24-14-19(32)10-9-17(24)3)30(26)21-12-11-18(31)13-22(21)33-29(30)37/h5-16H,1-4H3,(H,33,37)
• InChIKey: YDDDJTIWQWZBEO-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.45
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione?

The IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione (CID 129120408) is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione.

What is the SMILES notation for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione?

The canonical SMILES for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione is COc1ccccc1-n1cc2c(c1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1C)C2=O.

What is the InChIKey of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione?

The InChIKey is YDDDJTIWQWZBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2N3O3/c1-16(2)27-26-20(15-34(27)23-7-5-6-8-25(23)38-4)28(36)35(24-14-19(32)10-9-17(24)3)30(26)21-12-11-18(31)13-22(21)33-29(30)37/h5-16H,1-4H3,(H,33,37).

What are the key properties of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione?

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione has a molecular weight of 546.45 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-(2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-c]pyrrole]-2,6'-dione is sourced from PubChem (CID 129120408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).