2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

C43H43FN4O — CID 153443548

IUPAC2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(F)ccn4)c3c2)cc(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1
InChIInChI=1S/C43H43FN4O/c1-7-10-13-30-22-32(48-38(9-3)43(37(8-2)46-48)42-28(5)20-27(4)21-29(42)6)25-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)47(40(36)26-33)41-24-31(44)18-19-45-41/h11-12,14-26H,7-10,13H2,1-6H3
InChIKeyMSDLURRZYYUXSD-UHFFFAOYSA-N
MW650.84 g/mol
LogP11.36
Rot. Bonds10

About 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153443548) has the molecular formula C43H43FN4O and a molecular weight of 650.84 g/mol. Its IUPAC name is 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153443548
Molecular FormulaC43H43FN4O
Molecular Weight650.84 g/mol
Exact Mass650.34
IUPAC Name2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(F)ccn4)c3c2)cc(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1
InChIInChI=1S/C43H43FN4O/c1-7-10-13-30-22-32(48-38(9-3)43(37(8-2)46-48)42-28(5)20-27(4)21-29(42)6)25-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)47(40(36)26-33)41-24-31(44)18-19-45-41/h11-12,14-26H,7-10,13H2,1-6H3
InChIKeyMSDLURRZYYUXSD-UHFFFAOYSA-N
XLogP11.36
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.84
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153442696
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443095
2-[3-[5-butyl-4-(2,6-dimethylphenyl)-3-ethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443527
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153442884
2-[3-[4-(2,6-dimethylphenyl)-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443025
9-(4-butyl-2-pyridinyl)-2-[3-[3,5-dipropyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-prop-1-en-2-ylphenoxy]carbazole
CID 153442766
2-[3-tert-butyl-5-[5-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethyl-2-pyridinyl)carbazole
CID 153416161
2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153443425
9-(4-butyl-2-pyridinyl)-2-[3-[3-methyl-5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-prop-1-en-2-ylphenoxy]carbazole
CID 153443388
2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methyl-2-pyridinyl)-6-pentylcarbazole
CID 153441092
2-[3-tert-butyl-5-[3-methyl-5-propan-2-yl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-butyl-2-pyridinyl)carbazole
CID 153443639
2-[3-[3-methyl-5-(3-methylbutyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-propyl-2-pyridinyl)carbazole
CID 153415915

Frequently Asked Questions

What is the IUPAC name of 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153443548) is 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is CCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(F)ccn4)c3c2)cc(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1.
What is the InChIKey of 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is MSDLURRZYYUXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43FN4O/c1-7-10-13-30-22-32(48-38(9-3)43(37(8-2)46-48)42-28(5)20-27(4)21-29(42)6)25-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)47(40(36)26-33)41-24-31(44)18-19-45-41/h11-12,14-26H,7-10,13H2,1-6H3.
What are the key properties of 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 650.84 g/mol, XLogP of 11.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153443548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).