9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole

C54H32I3N3 — CID 126517762

About 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole

9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole (PubChem CID 126517762) has the molecular formula C54H32I3N3 and a molecular weight of 1103.58 g/mol. Its IUPAC name is 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
• PubChem CID: 126517762
• Molecular Formula: C54H32I3N3
• Molecular Weight: 1103.58 g/mol
• Exact Mass: 1102.97
• IUPAC Name: 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
• SMILES: In1c2ccc(-c3ccccc3)cc2c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccc(-c7ccc8c9ccccc9n(I)c8c7)cc5n6I)c4)c3)ccc21
• InChI: InChI=1S/C54H32I3N3/c55-58-51-23-18-38(33-8-2-1-3-9-33)28-47(51)48-30-40(20-25-52(48)58)37-13-7-11-35(27-37)34-10-6-12-36(26-34)39-19-24-50-46(29-39)45-22-17-42(32-54(45)60(50)57)41-16-21-44-43-14-4-5-15-49(43)59(56)53(44)31-41/h1-32H
• InChIKey: KTZQIICMZUBPGC-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.58
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?

The IUPAC name of 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole (CID 126517762) is 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole.

What is the SMILES notation for 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?

The canonical SMILES for 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole is In1c2ccc(-c3ccccc3)cc2c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccc(-c7ccc8c9ccccc9n(I)c8c7)cc5n6I)c4)c3)ccc21.

What is the InChIKey of 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?

The InChIKey is KTZQIICMZUBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32I3N3/c55-58-51-23-18-38(33-8-2-1-3-9-33)28-47(51)48-30-40(20-25-52(48)58)37-13-7-11-35(27-37)34-10-6-12-36(26-34)39-19-24-50-46(29-39)45-22-17-42(32-54(45)60(50)57)41-16-21-44-43-14-4-5-15-49(43)59(56)53(44)31-41/h1-32H.

What are the key properties of 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole?

9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole has a molecular weight of 1103.58 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 126517762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).