9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole

C54H33N3 — CID 122548627

About 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole

9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole (PubChem CID 122548627) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
• PubChem CID: 122548627
• Molecular Formula: C54H33N3
• Molecular Weight: 723.88 g/mol
• Exact Mass: 723.27
• IUPAC Name: 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
• SMILES: c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1c1ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C54H33N3/c1-7-19-49-40(13-1)41-14-2-8-20-50(41)55(49)34-25-28-37-46(31-34)38-29-26-35(56-51-21-9-3-15-42(51)43-16-4-10-22-52(43)56)33-48(38)39-30-27-36(32-47(37)39)57-53-23-11-5-17-44(53)45-18-6-12-24-54(45)57/h1-33H
• InChIKey: ZFMOTDOEOHLCOP-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 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole?

The IUPAC name of 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole (CID 122548627) is 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole.

What is the SMILES notation for 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole?

The canonical SMILES for 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1c1ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole?

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

What are the key properties of 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole?

9-[6,10-di(carbazol-9-yl)triphenylen-2-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 9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole is sourced from PubChem (CID 122548627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).