2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole

C39H36N4O2 — CID 153415656

IUPAC2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
SMILESCCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6cc(C)c(C)c(C)c6)c5C)c4)cc32)c1
InChIInChI=1S/C39H36N4O2/c1-7-44-31-17-18-40-38(23-31)42-36-14-9-8-13-34(36)35-16-15-33(22-37(35)42)45-32-12-10-11-30(21-32)43-28(6)39(27(5)41-43)29-19-24(2)26(4)25(3)20-29/h8-23H,7H2,1-6H3
InChIKeyGXLSCWPHRMCFIH-UHFFFAOYSA-N
MW592.74 g/mol
LogP9.76
Rot. Bonds7

About 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole

2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole (PubChem CID 153415656) has the molecular formula C39H36N4O2 and a molecular weight of 592.74 g/mol. Its IUPAC name is 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
PubChem CID153415656
Molecular FormulaC39H36N4O2
Molecular Weight592.74 g/mol
Exact Mass592.28
IUPAC Name2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
SMILESCCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6cc(C)c(C)c(C)c6)c5C)c4)cc32)c1
InChIInChI=1S/C39H36N4O2/c1-7-44-31-17-18-40-38(23-31)42-36-14-9-8-13-34(36)35-16-15-33(22-37(35)42)45-32-12-10-11-30(21-32)43-28(6)39(27(5)41-43)29-19-24(2)26(4)25(3)20-29/h8-23H,7H2,1-6H3
InChIKeyGXLSCWPHRMCFIH-UHFFFAOYSA-N
XLogP9.76
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443608
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)-6-methylcarbazole
CID 153440713
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-[3,5-dimethyl-4-(2-methyl-6-propan-2-ylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153417295
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511
2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153417870
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-fluoro-2-pyridinyl)-6-phenylcarbazole
CID 153442105
6-deuterio-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-pentyl-2-pyridinyl)carbazole
CID 153441140
6-butyl-9-(4-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153441138
6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153440759
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-propyl-2-pyridinyl)-6-(trideuteriomethyl)carbazole
CID 153441890

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole (CID 153415656) is 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole is CCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6cc(C)c(C)c(C)c6)c5C)c4)cc32)c1.
What is the InChIKey of 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole?
The InChIKey is GXLSCWPHRMCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N4O2/c1-7-44-31-17-18-40-38(23-31)42-36-14-9-8-13-34(36)35-16-15-33(22-37(35)42)45-32-12-10-11-30(21-32)43-28(6)39(27(5)41-43)29-19-24(2)26(4)25(3)20-29/h8-23H,7H2,1-6H3.
What are the key properties of 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole?
2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole has a molecular weight of 592.74 g/mol, XLogP of 9.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153415656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).