2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole

C54H33N3 — CID 121274428

About 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole

2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole (PubChem CID 121274428) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
• PubChem CID: 121274428
• Molecular Formula: C54H33N3
• Molecular Weight: 723.88 g/mol
• Exact Mass: 723.27
• IUPAC Name: 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
• SMILES: c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)ccc43)ccc21
• InChI: InChI=1S/C54H33N3/c1-2-15-39-37(13-1)38-14-3-4-16-40(38)47-31-34(25-28-41(39)47)55-52-24-12-8-20-45(52)48-32-35(27-30-53(48)55)57-51-23-11-7-19-44(51)46-29-26-36(33-54(46)57)56-49-21-9-5-17-42(49)43-18-6-10-22-50(43)56/h1-33H
• InChIKey: BKLHJHOKVWMWEA-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.88
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?

The IUPAC name of 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole (CID 121274428) is 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole.

What is the SMILES notation for 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?

The canonical SMILES for 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole is c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)ccc43)ccc21.

What is the InChIKey of 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?

The InChIKey is BKLHJHOKVWMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-2-15-39-37(13-1)38-14-3-4-16-40(38)47-31-34(25-28-41(39)47)55-52-24-12-8-20-45(52)48-32-35(27-30-53(48)55)57-51-23-11-7-19-44(51)46-29-26-36(33-54(46)57)56-49-21-9-5-17-42(49)43-18-6-10-22-50(43)56/h1-33H.

What are the key properties of 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole?

2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole has a molecular weight of 723.88 g/mol, XLogP of 14.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 121274428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).