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

C44H35N3O2 — CID 177144829

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

3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 177144829) has the molecular formula C44H35N3O2 and a molecular weight of 637.78 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione
• PubChem CID: 177144829
• Molecular Formula: C44H35N3O2
• Molecular Weight: 637.78 g/mol
• Exact Mass: 637.27
• IUPAC Name: 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione
• SMILES: CC1(C)C(=O)N(c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C(=O)C1(C)C
• InChI: InChI=1S/C44H35N3O2/c1-43(2)41(48)47(42(49)44(43,3)4)40-21-13-12-20-39(40)46-36-19-11-9-17-32(36)34-27-29(23-25-38(34)46)28-22-24-37-33(26-28)31-16-8-10-18-35(31)45(37)30-14-6-5-7-15-30/h5-27H,1-4H3
• InChIKey: VDMNMBLQJGAHPU-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 47.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.78
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione?

The IUPAC name of 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione (CID 177144829) is 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione.

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

The canonical SMILES for 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione is CC1(C)C(=O)N(c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)C(=O)C1(C)C.

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

The InChIKey is VDMNMBLQJGAHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3O2/c1-43(2)41(48)47(42(49)44(43,3)4)40-21-13-12-20-39(40)46-36-19-11-9-17-32(36)34-27-29(23-25-38(34)46)28-22-24-37-33(26-28)31-16-8-10-18-35(31)45(37)30-14-6-5-7-15-30/h5-27H,1-4H3.

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

3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 637.78 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetramethyl-1-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 177144829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).