5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione

C45H38N2O2 — CID 130417550

About 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione

5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione (PubChem CID 130417550) has the molecular formula C45H38N2O2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
• PubChem CID: 130417550
• Molecular Formula: C45H38N2O2
• Molecular Weight: 638.81 g/mol
• Exact Mass: 638.29
• IUPAC Name: 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
• SMILES: CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C1=O
• InChI: InChI=1S/C45H38N2O2/c1-29(2)34-20-15-21-35(30(3)4)42(34)47-43(48)36-27-26-33(28-37(36)44(47)49)46-40-24-13-11-22-38(40)45(31-16-7-5-8-17-31,32-18-9-6-10-19-32)39-23-12-14-25-41(39)46/h5-30H,1-4H3
• InChIKey: NGQLFSUACFQAKG-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.81
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione?

The IUPAC name of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione (CID 130417550) is 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione.

What is the SMILES notation for 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione?

The canonical SMILES for 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C1=O.

What is the InChIKey of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione?

The InChIKey is NGQLFSUACFQAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N2O2/c1-29(2)34-20-15-21-35(30(3)4)42(34)47-43(48)36-27-26-33(28-37(36)44(47)49)46-40-24-13-11-22-38(40)45(31-16-7-5-8-17-31,32-18-9-6-10-19-32)39-23-12-14-25-41(39)46/h5-30H,1-4H3.

What are the key properties of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione?

5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione has a molecular weight of 638.81 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 130417550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).