3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole

C37H25N3O2 — CID 22944348

About 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole

3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 22944348) has the molecular formula C37H25N3O2 and a molecular weight of 543.63 g/mol. Its IUPAC name is 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
• PubChem CID: 22944348
• Molecular Formula: C37H25N3O2
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.19
• IUPAC Name: 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
• SMILES: Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc([N+](=O)[O-])ccc43)cc2)cc1
• InChI: InChI=1S/C37H25N3O2/c1-24-10-20-36-32(22-24)30-6-2-4-8-34(30)38(36)27-15-11-25(12-16-27)26-13-17-28(18-14-26)39-35-9-5-3-7-31(35)33-23-29(40(41)42)19-21-37(33)39/h2-23H,1H3
• InChIKey: NJOUJRDEKKCBIK-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 53.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole?

The IUPAC name of 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole (CID 22944348) is 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole.

What is the SMILES notation for 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole?

The canonical SMILES for 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc([N+](=O)[O-])ccc43)cc2)cc1.

What is the InChIKey of 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole?

The InChIKey is NJOUJRDEKKCBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O2/c1-24-10-20-36-32(22-24)30-6-2-4-8-34(30)38(36)27-15-11-25(12-16-27)26-13-17-28(18-14-26)39-35-9-5-3-7-31(35)33-23-29(40(41)42)19-21-37(33)39/h2-23H,1H3.

What are the key properties of 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole?

3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 543.63 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 22944348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).