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

C41H40N4O2 — CID 153442884

IUPAC2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(OC)ccn5)c4c3)c2)c(CC)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C41H40N4O2/c1-8-35-41(40-27(5)18-25(3)19-28(40)6)36(9-2)45(43-35)29-20-26(4)21-32(22-29)47-31-14-15-34-33-12-10-11-13-37(33)44(38(34)23-31)39-24-30(46-7)16-17-42-39/h10-24H,8-9H2,1-7H3
InChIKeyXCJYLGORQMTMEH-UHFFFAOYSA-N
MW620.80 g/mol
LogP10.19
Rot. Bonds8

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

2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (PubChem CID 153442884) has the molecular formula C41H40N4O2 and a molecular weight of 620.80 g/mol. Its IUPAC name is 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
PubChem CID153442884
Molecular FormulaC41H40N4O2
Molecular Weight620.80 g/mol
Exact Mass620.32
IUPAC Name2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(OC)ccn5)c4c3)c2)c(CC)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C41H40N4O2/c1-8-35-41(40-27(5)18-25(3)19-28(40)6)36(9-2)45(43-35)29-20-26(4)21-32(22-29)47-31-14-15-34-33-12-10-11-13-37(33)44(38(34)23-31)39-24-30(46-7)16-17-42-39/h10-24H,8-9H2,1-7H3
InChIKeyXCJYLGORQMTMEH-UHFFFAOYSA-N
XLogP10.19
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 510.19
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-propylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153443095
2-[3-[4-(2,6-dimethylphenyl)-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443025
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-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-butyl-5-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153443548
2-[3-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443569
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-[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-[3,5-dimethyl-4-[(1S,6S)-2,4,6-triethylcyclohex-2-en-1-yl]pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 158037871
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (CID 153442884) is 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-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-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is CCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(OC)ccn5)c4c3)c2)c(CC)c1-c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The InChIKey is XCJYLGORQMTMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N4O2/c1-8-35-41(40-27(5)18-25(3)19-28(40)6)36(9-2)45(43-35)29-20-26(4)21-32(22-29)47-31-14-15-34-33-12-10-11-13-37(33)44(38(34)23-31)39-24-30(46-7)16-17-42-39/h10-24H,8-9H2,1-7H3.
What are the key properties of 2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole has a molecular weight of 620.80 g/mol, XLogP of 10.19, 8 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-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153442884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).