2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole

C45H32N6O — CID 140943677

About 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole

2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole (PubChem CID 140943677) has the molecular formula C45H32N6O and a molecular weight of 672.79 g/mol. Its IUPAC name is 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
• PubChem CID: 140943677
• Molecular Formula: C45H32N6O
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.26
• IUPAC Name: 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
• SMILES: Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)c1
• InChI: InChI=1S/C45H32N6O/c1-29-45(30(2)51(48-29)32-12-4-3-5-13-32)31-23-25-47-44(26-31)50-40-17-9-7-15-36(40)38-22-20-34(28-42(38)50)52-33-19-21-37-35-14-6-8-16-39(35)49(41(37)27-33)43-18-10-11-24-46-43/h3-28H,1-2H3
• InChIKey: IBIJUSJAEHPPLA-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.79
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?

The IUPAC name of 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole (CID 140943677) is 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?

The canonical SMILES for 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole is Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)c1.

What is the InChIKey of 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?

The InChIKey is IBIJUSJAEHPPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N6O/c1-29-45(30(2)51(48-29)32-12-4-3-5-13-32)31-23-25-47-44(26-31)50-40-17-9-7-15-36(40)38-22-20-34(28-42(38)50)52-33-19-21-37-35-14-6-8-16-39(35)49(41(37)27-33)43-18-10-11-24-46-43/h3-28H,1-2H3.

What are the key properties of 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?

2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole has a molecular weight of 672.79 g/mol, XLogP of 10.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 140943677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).