2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

C43H44N4O2 — CID 153443095

IUPAC2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(OC)ccn4)c3c2)cc(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1
InChIInChI=1S/C43H44N4O2/c1-8-13-30-22-31(47-38(10-3)43(37(9-2)45-47)42-28(5)20-27(4)21-29(42)6)24-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)46(40(36)25-33)41-26-32(48-7)18-19-44-41/h11-12,14-26H,8-10,13H2,1-7H3
InChIKeyGSQUXBUBPMYOAH-UHFFFAOYSA-N
MW648.85 g/mol
LogP10.83
Rot. Bonds10

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

2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (PubChem CID 153443095) has the molecular formula C43H44N4O2 and a molecular weight of 648.85 g/mol. Its IUPAC name is 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
PubChem CID153443095
Molecular FormulaC43H44N4O2
Molecular Weight648.85 g/mol
Exact Mass648.35
IUPAC Name2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(OC)ccn4)c3c2)cc(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1
InChIInChI=1S/C43H44N4O2/c1-8-13-30-22-31(47-38(10-3)43(37(9-2)45-47)42-28(5)20-27(4)21-29(42)6)24-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)46(40(36)25-33)41-26-32(48-7)18-19-44-41/h11-12,14-26H,8-10,13H2,1-7H3
InChIKeyGSQUXBUBPMYOAH-UHFFFAOYSA-N
XLogP10.83
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153442696
2-[3-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153443548
2-[3-[3,5-diethyl-4-[(1S,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 160939690
2-[3-[4-(2,6-dimethylphenyl)-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443025
2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415508
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-propylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443094
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
2-[3-tert-butyl-5-[3-methyl-5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propyl-2-pyridinyl)carbazole
CID 153417022
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (CID 153443095) is 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is CCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(OC)ccn4)c3c2)cc(-n2nc(CC)c(-c3c(C)cc(C)cc3C)c2CC)c1.
What is the InChIKey of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The InChIKey is GSQUXBUBPMYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N4O2/c1-8-13-30-22-31(47-38(10-3)43(37(9-2)45-47)42-28(5)20-27(4)21-29(42)6)24-34(23-30)49-33-16-17-36-35-14-11-12-15-39(35)46(40(36)25-33)41-26-32(48-7)18-19-44-41/h11-12,14-26H,8-10,13H2,1-7H3.
What are the key properties of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole has a molecular weight of 648.85 g/mol, XLogP of 10.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153443095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).