6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole

C34H26N4O — CID 153440759

About 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole

6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole (PubChem CID 153440759) has the molecular formula C34H26N4O and a molecular weight of 508.62 g/mol. Its IUPAC name is 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
• PubChem CID: 153440759
• Molecular Formula: C34H26N4O
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.22
• IUPAC Name: 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
• SMILES: [2H]c1ccnc(-n2c3ccc([2H])cc3c3ccc(Oc4cccc(-n5nc(C)c(-c6ccccc6)c5C)c4)cc32)c1
• InChI: InChI=1S/C34H26N4O/c1-23-34(25-11-4-3-5-12-25)24(2)38(36-23)26-13-10-14-27(21-26)39-28-18-19-30-29-15-6-7-16-31(29)37(32(30)22-28)33-17-8-9-20-35-33/h3-22H,1-2H3/i6D,8D
• InChIKey: RGPPHYLWIKNMPM-XNOGNMAASA-N
• XLogP: 8.44
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole?

The IUPAC name of 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole (CID 153440759) is 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole.

What is the SMILES notation for 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole?

The canonical SMILES for 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole is [2H]c1ccnc(-n2c3ccc([2H])cc3c3ccc(Oc4cccc(-n5nc(C)c(-c6ccccc6)c5C)c4)cc32)c1.

What is the InChIKey of 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole?

The InChIKey is RGPPHYLWIKNMPM-XNOGNMAASA-N. The full InChI is InChI=1S/C34H26N4O/c1-23-34(25-11-4-3-5-12-25)24(2)38(36-23)26-13-10-14-27(21-26)39-28-18-19-30-29-15-6-7-16-31(29)37(32(30)22-28)33-17-8-9-20-35-33/h3-22H,1-2H3/i6D,8D.

What are the key properties of 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole?

6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole has a molecular weight of 508.62 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 153440759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).