2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

C43H36N4O2 — CID 153443608

IUPAC2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6c(C)cc(-c7ccccc7)cc6C)c5C)c4)cc32)c1
InChIInChI=1S/C43H36N4O2/c1-27-22-32(31-12-7-6-8-13-31)23-28(2)42(27)43-29(3)45-47(30(43)4)33-14-11-15-35(24-33)49-36-18-19-38-37-16-9-10-17-39(37)46(40(38)25-36)41-26-34(48-5)20-21-44-41/h6-26H,1-5H3
InChIKeyFUTMBAOSDSJXLJ-UHFFFAOYSA-N
MW640.79 g/mol
LogP10.73
Rot. Bonds7

About 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole

2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (PubChem CID 153443608) has the molecular formula C43H36N4O2 and a molecular weight of 640.79 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
PubChem CID153443608
Molecular FormulaC43H36N4O2
Molecular Weight640.79 g/mol
Exact Mass640.28
IUPAC Name2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
SMILESCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6c(C)cc(-c7ccccc7)cc6C)c5C)c4)cc32)c1
InChIInChI=1S/C43H36N4O2/c1-27-22-32(31-12-7-6-8-13-31)23-28(2)42(27)43-29(3)45-47(30(43)4)33-14-11-15-35(24-33)49-36-18-19-38-37-16-9-10-17-39(37)46(40(38)25-36)41-26-34(48-5)20-21-44-41/h6-26H,1-5H3
InChIKeyFUTMBAOSDSJXLJ-UHFFFAOYSA-N
XLogP10.73
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
CID 153415656
2-[3-tert-butyl-5-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443254
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153442930
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415395
2-[3-[3,5-dimethyl-4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416946
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-phenylpyrazol-1-yl)phenoxy]-9-(4-fluoro-2-pyridinyl)-6-phenylcarbazole
CID 153442105
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-methoxy-2-pyridinyl)-6-(6-methylheptan-2-yl)carbazole
CID 153440801
2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415508

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole (CID 153443608) is 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6c(C)cc(-c7ccccc7)cc6C)c5C)c4)cc32)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
The InChIKey is FUTMBAOSDSJXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N4O2/c1-27-22-32(31-12-7-6-8-13-31)23-28(2)42(27)43-29(3)45-47(30(43)4)33-14-11-15-35(24-33)49-36-18-19-38-37-16-9-10-17-39(37)46(40(38)25-36)41-26-34(48-5)20-21-44-41/h6-26H,1-5H3.
What are the key properties of 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole has a molecular weight of 640.79 g/mol, XLogP of 10.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153443608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).