3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione

C50H40N2O5 — CID 118655432

About 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione

3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione (PubChem CID 118655432) has the molecular formula C50H40N2O5 and a molecular weight of 748.88 g/mol. Its IUPAC name is 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione.

Molecular Properties

• Compound Name: 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione
• PubChem CID: 118655432
• Molecular Formula: C50H40N2O5
• Molecular Weight: 748.88 g/mol
• Exact Mass: 748.29
• IUPAC Name: 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione
• SMILES: COc1ccc(N2c3ccccc3C(C)(C)c3cc(C4=C5OC(=O)C(c6ccc7c(c6)C(C)(C)c6ccccc6N7c6ccc(C)cc6)=C5OC4=O)ccc32)cc1
• InChI: InChI=1S/C50H40N2O5/c1-29-15-19-32(20-16-29)51-39-13-9-7-11-35(39)49(2,3)37-27-30(17-25-41(37)51)43-45-46(57-47(43)53)44(48(54)56-45)31-18-26-42-38(28-31)50(4,5)36-12-8-10-14-40(36)52(42)33-21-23-34(55-6)24-22-33/h7-28H,1-6H3
• InChIKey: WCADACXGQKNTKZ-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 68.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.88
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione?

The IUPAC name of 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione (CID 118655432) is 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione.

What is the SMILES notation for 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione?

The canonical SMILES for 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione is COc1ccc(N2c3ccccc3C(C)(C)c3cc(C4=C5OC(=O)C(c6ccc7c(c6)C(C)(C)c6ccccc6N7c6ccc(C)cc6)=C5OC4=O)ccc32)cc1.

What is the InChIKey of 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione?

The InChIKey is WCADACXGQKNTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2O5/c1-29-15-19-32(20-16-29)51-39-13-9-7-11-35(39)49(2,3)37-27-30(17-25-41(37)51)43-45-46(57-47(43)53)44(48(54)56-45)31-18-26-42-38(28-31)50(4,5)36-12-8-10-14-40(36)52(42)33-21-23-34(55-6)24-22-33/h7-28H,1-6H3.

What are the key properties of 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione?

3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione has a molecular weight of 748.88 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione is sourced from PubChem (CID 118655432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).