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

C51H36N6O — CID 140943640

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

2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole (PubChem CID 140943640) has the molecular formula C51H36N6O and a molecular weight of 748.89 g/mol. Its IUPAC name is 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole
• PubChem CID: 140943640
• Molecular Formula: C51H36N6O
• Molecular Weight: 748.89 g/mol
• Exact Mass: 748.30
• IUPAC Name: 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole
• SMILES: Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6cc(-c7ccccc7)ccn6)c5c4)cc32)c1
• InChI: InChI=1S/C51H36N6O/c1-33-51(34(2)57(54-33)38-15-7-4-8-16-38)37-26-28-53-50(30-37)56-46-20-12-10-18-42(46)44-24-22-40(32-48(44)56)58-39-21-23-43-41-17-9-11-19-45(41)55(47(43)31-39)49-29-36(25-27-52-49)35-13-5-3-6-14-35/h3-32H,1-2H3
• InChIKey: QXNWEPJMHUMZFY-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.89
LogP ≤ 5	12.60
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-(4-phenyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole (CID 140943640) is 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole is Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6cc(-c7ccccc7)ccn6)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-(4-phenyl-2-pyridinyl)carbazole?

The InChIKey is QXNWEPJMHUMZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N6O/c1-33-51(34(2)57(54-33)38-15-7-4-8-16-38)37-26-28-53-50(30-37)56-46-20-12-10-18-42(46)44-24-22-40(32-48(44)56)58-39-21-23-43-41-17-9-11-19-45(41)55(47(43)31-39)49-29-36(25-27-52-49)35-13-5-3-6-14-35/h3-32H,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-(4-phenyl-2-pyridinyl)carbazole?

2-[9-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyridinyl]carbazol-2-yl]oxy-9-(4-phenyl-2-pyridinyl)carbazole has a molecular weight of 748.89 g/mol, XLogP of 12.60, 7 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-(4-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 140943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).