9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole

C35H21F7N4O — CID 153414450

About 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153414450) has the molecular formula C35H21F7N4O and a molecular weight of 646.57 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153414450
• Molecular Formula: C35H21F7N4O
• Molecular Weight: 646.57 g/mol
• Exact Mass: 646.16
• IUPAC Name: 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole
• SMILES: Cc1cc(C(F)(F)F)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C35H21F7N4O/c1-20-13-28(34(37,38)39)33(29(14-20)35(40,41)42)21-18-44-45(19-21)23-5-4-6-24(16-23)47-25-9-10-27-26-7-2-3-8-30(26)46(31(27)17-25)32-15-22(36)11-12-43-32/h2-19H,1H3
• InChIKey: JFEJOEVKPYWRFL-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.57
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole (CID 153414450) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole is Cc1cc(C(F)(F)F)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C(F)(F)F)c1.

What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

The InChIKey is JFEJOEVKPYWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F7N4O/c1-20-13-28(34(37,38)39)33(29(14-20)35(40,41)42)21-18-44-45(19-21)23-5-4-6-24(16-23)47-25-9-10-27-26-7-2-3-8-30(26)46(31(27)17-25)32-15-22(36)11-12-43-32/h2-19H,1H3.

What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole?

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 646.57 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153414450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).