2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

C37H30F2N4O2 — CID 153413643

About 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (PubChem CID 153413643) has the molecular formula C37H30F2N4O2 and a molecular weight of 600.67 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
• PubChem CID: 153413643
• Molecular Formula: C37H30F2N4O2
• Molecular Weight: 600.67 g/mol
• Exact Mass: 600.23
• IUPAC Name: 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
• SMILES: COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(CF)c(C)cc(C)c6CF)cn5)c4)cc32)c1
• InChI: InChI=1S/C37H30F2N4O2/c1-23-15-24(2)33(20-39)37(32(23)19-38)25-21-41-42(22-25)26-7-6-8-28(16-26)45-29-11-12-31-30-9-4-5-10-34(30)43(35(31)17-29)36-18-27(44-3)13-14-40-36/h4-18,21-22H,19-20H2,1-3H3
• InChIKey: WOHCRPQABHLGMP-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.67
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (CID 153413643) is 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(CF)c(C)cc(C)c6CF)cn5)c4)cc32)c1.

What is the InChIKey of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?

The InChIKey is WOHCRPQABHLGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30F2N4O2/c1-23-15-24(2)33(20-39)37(32(23)19-38)25-21-41-42(22-25)26-7-6-8-28(16-26)45-29-11-12-31-30-9-4-5-10-34(30)43(35(31)17-29)36-18-27(44-3)13-14-40-36/h4-18,21-22H,19-20H2,1-3H3.

What are the key properties of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?

2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole has a molecular weight of 600.67 g/mol, XLogP of 9.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153413643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).