9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole

C32H24ClIN2O — CID 166052902

About 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole

9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole (PubChem CID 166052902) has the molecular formula C32H24ClIN2O and a molecular weight of 614.91 g/mol. Its IUPAC name is 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole
• PubChem CID: 166052902
• Molecular Formula: C32H24ClIN2O
• Molecular Weight: 614.91 g/mol
• Exact Mass: 614.06
• IUPAC Name: 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole
• SMILES: Cc1cc(C)c(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(Cl)ccn5)c4c3)c2)c(C)c1I
• InChI: InChI=1S/C32H24ClIN2O/c1-19-15-20(2)32(34)21(3)31(19)22-7-6-8-24(16-22)37-25-11-12-27-26-9-4-5-10-28(26)36(29(27)18-25)30-17-23(33)13-14-35-30/h4-18H,1-3H3
• InChIKey: OULMDRAQNGBYCQ-UHFFFAOYSA-N
• XLogP: 9.82
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.91
LogP ≤ 5	9.82
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-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole?

The IUPAC name of 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole (CID 166052902) is 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole.

What is the SMILES notation for 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole?

The canonical SMILES for 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole is Cc1cc(C)c(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(Cl)ccn5)c4c3)c2)c(C)c1I.

What is the InChIKey of 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole?

The InChIKey is OULMDRAQNGBYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClIN2O/c1-19-15-20(2)32(34)21(3)31(19)22-7-6-8-24(16-22)37-25-11-12-27-26-9-4-5-10-28(26)36(29(27)18-25)30-17-23(33)13-14-35-30/h4-18H,1-3H3.

What are the key properties of 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole?

9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole has a molecular weight of 614.91 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole is sourced from PubChem (CID 166052902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).