3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione

C34H28N4O2 — CID 177144951

About 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione

3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione (PubChem CID 177144951) has the molecular formula C34H28N4O2 and a molecular weight of 524.62 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione
• PubChem CID: 177144951
• Molecular Formula: C34H28N4O2
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.22
• IUPAC Name: 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione
• SMILES: CC1(C)C(=O)N(c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3n2)C(=O)C1(C)C
• InChI: InChI=1S/C34H28N4O2/c1-33(2)30(39)38(31(40)34(33,3)4)32-35-26-16-10-8-15-24(26)29(36-32)21-18-19-28-25(20-21)23-14-9-11-17-27(23)37(28)22-12-6-5-7-13-22/h5-20H,1-4H3
• InChIKey: YJUJAAGTUXURRC-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione?

The IUPAC name of 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione (CID 177144951) is 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione.

What is the SMILES notation for 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione?

The canonical SMILES for 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione is CC1(C)C(=O)N(c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3n2)C(=O)C1(C)C.

What is the InChIKey of 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione?

The InChIKey is YJUJAAGTUXURRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O2/c1-33(2)30(39)38(31(40)34(33,3)4)32-35-26-16-10-8-15-24(26)29(36-32)21-18-19-28-25(20-21)23-14-9-11-17-27(23)37(28)22-12-6-5-7-13-22/h5-20H,1-4H3.

What are the key properties of 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione?

3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 524.62 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetramethyl-1-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 177144951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).