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

C37H32N4O — CID 153441096

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

9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole (PubChem CID 153441096) has the molecular formula C37H32N4O and a molecular weight of 549.70 g/mol. Its IUPAC name is 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole.

Molecular Properties

• Compound Name: 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole
• PubChem CID: 153441096
• Molecular Formula: C37H32N4O
• Molecular Weight: 549.70 g/mol
• Exact Mass: 549.26
• IUPAC Name: 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole
• SMILES: [2H]c1ccnc(-n2c3ccc(CCC)cc3c3ccc(Oc4cccc(-n5nc(C)c(-c6ccccc6)c5C)c4)cc32)c1
• InChI: InChI=1S/C37H32N4O/c1-4-11-27-17-20-34-33(22-27)32-19-18-31(24-35(32)40(34)36-16-8-9-21-38-36)42-30-15-10-14-29(23-30)41-26(3)37(25(2)39-41)28-12-6-5-7-13-28/h5-10,12-24H,4,11H2,1-3H3/i8D
• InChIKey: QWJWWCHKHIOWKR-BNEYPBHNSA-N
• XLogP: 9.39
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole (CID 153441096) is 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole.

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

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

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

The InChIKey is QWJWWCHKHIOWKR-BNEYPBHNSA-N. The full InChI is InChI=1S/C37H32N4O/c1-4-11-27-17-20-34-33(22-27)32-19-18-31(24-35(32)40(34)36-16-8-9-21-38-36)42-30-15-10-14-29(23-30)41-26(3)37(25(2)39-41)28-12-6-5-7-13-28/h5-10,12-24H,4,11H2,1-3H3/i8D.

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

9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole has a molecular weight of 549.70 g/mol, XLogP of 9.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole is sourced from PubChem (CID 153441096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).