6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole

C43H27F6N3O — CID 157349377

About 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole

6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 157349377) has the molecular formula C43H27F6N3O and a molecular weight of 715.70 g/mol. Its IUPAC name is 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
• PubChem CID: 157349377
• Molecular Formula: C43H27F6N3O
• Molecular Weight: 715.70 g/mol
• Exact Mass: 715.21
• IUPAC Name: 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole
• SMILES: Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3cc(Oc4cc(-c5ccccc5)ccn4)cc(C(F)(F)F)c3)cc1n2-c1cc(-c2ccccc2)ccn1
• InChI: InChI=1S/C43H27F6N3O/c1-26-12-13-38-35(18-26)36-24-37(43(47,48)49)34(25-39(36)52(38)40-21-29(14-16-50-40)27-8-4-2-5-9-27)31-19-32(42(44,45)46)23-33(20-31)53-41-22-30(15-17-51-41)28-10-6-3-7-11-28/h2-25H,1H3
• InChIKey: GDYVAODYDXJIGD-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.70
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole?

The IUPAC name of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole (CID 157349377) is 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole.

What is the SMILES notation for 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole?

The canonical SMILES for 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole is Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3cc(Oc4cc(-c5ccccc5)ccn4)cc(C(F)(F)F)c3)cc1n2-c1cc(-c2ccccc2)ccn1.

What is the InChIKey of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole?

The InChIKey is GDYVAODYDXJIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27F6N3O/c1-26-12-13-38-35(18-26)36-24-37(43(47,48)49)34(25-39(36)52(38)40-21-29(14-16-50-40)27-8-4-2-5-9-27)31-19-32(42(44,45)46)23-33(20-31)53-41-22-30(15-17-51-41)28-10-6-3-7-11-28/h2-25H,1H3.

What are the key properties of 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole?

6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 715.70 g/mol, XLogP of 12.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 157349377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).