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

C36H29FN4O2 — CID 153413959

IUPAC2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCCOc1cc(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C)c1
InChIInChI=1S/C36H29FN4O2/c1-4-42-30-16-23(2)36(24(3)17-30)25-21-39-40(22-25)27-8-7-9-28(19-27)43-29-12-13-32-31-10-5-6-11-33(31)41(34(32)20-29)35-18-26(37)14-15-38-35/h5-22H,4H2,1-3H3
InChIKeySBMYZYJDRCPOAW-UHFFFAOYSA-N
MW568.65 g/mol
LogP8.98
Rot. Bonds7

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

2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153413959) has the molecular formula C36H29FN4O2 and a molecular weight of 568.65 g/mol. Its IUPAC name is 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153413959
Molecular FormulaC36H29FN4O2
Molecular Weight568.65 g/mol
Exact Mass568.23
IUPAC Name2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCCOc1cc(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C)c1
InChIInChI=1S/C36H29FN4O2/c1-4-42-30-16-23(2)36(24(3)17-30)25-21-39-40(22-25)27-8-7-9-28(19-27)43-29-12-13-32-31-10-5-6-11-33(31)41(34(32)20-29)35-18-26(37)14-15-38-35/h5-22H,4H2,1-3H3
InChIKeySBMYZYJDRCPOAW-UHFFFAOYSA-N
XLogP8.98
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.65
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]carbazole
CID 153414450
2-[3-[4-[2,6-dimethyl-4-(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413881
2-[3-[4-(4-ethylsulfanyl-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153414910
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413547
2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153412894
2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413100
2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153413643
1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153413011
2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153412804
9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413901
1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414281
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414468

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153413959) is 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is CCOc1cc(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C)c1.
What is the InChIKey of 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is SBMYZYJDRCPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN4O2/c1-4-42-30-16-23(2)36(24(3)17-30)25-21-39-40(22-25)27-8-7-9-28(19-27)43-29-12-13-32-31-10-5-6-11-33(31)41(34(32)20-29)35-18-26(37)14-15-38-35/h5-22H,4H2,1-3H3.
What are the key properties of 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 568.65 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-ethoxy-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).