9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole

C38H33FN4O — CID 153413286

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1cc(F)cc(C)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1
InChIInChI=1S/C38H33FN4O/c1-24-17-28(39)18-25(2)37(24)26-22-41-42(23-26)29-9-8-10-30(20-29)44-31-13-14-33-32-11-6-7-12-34(32)43(35(33)21-31)36-19-27(15-16-40-36)38(3,4)5/h6-23H,1-5H3
InChIKeyACUQWEXIHHLVCD-UHFFFAOYSA-N
MW580.71 g/mol
LogP9.88
Rot. Bonds5

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153413286) has the molecular formula C38H33FN4O and a molecular weight of 580.71 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
PubChem CID153413286
Molecular FormulaC38H33FN4O
Molecular Weight580.71 g/mol
Exact Mass580.26
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1cc(F)cc(C)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1
InChIInChI=1S/C38H33FN4O/c1-24-17-28(39)18-25(2)37(24)26-22-41-42(23-26)29-9-8-10-30(20-29)44-31-13-14-33-32-11-6-7-12-34(32)43(35(33)21-31)36-19-27(15-16-40-36)38(3,4)5/h6-23H,1-5H3
InChIKeyACUQWEXIHHLVCD-UHFFFAOYSA-N
XLogP9.88
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153413286) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1cc(F)cc(C)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The InChIKey is ACUQWEXIHHLVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33FN4O/c1-24-17-28(39)18-25(2)37(24)26-22-41-42(23-26)29-9-8-10-30(20-29)44-31-13-14-33-32-11-6-7-12-34(32)43(35(33)21-31)36-19-27(15-16-40-36)38(3,4)5/h6-23H,1-5H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 580.71 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153413286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).