9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole

C44H46N4O — CID 153414962

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1cc(C)c(C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c2)c1C
InChIInChI=1S/C44H46N4O/c1-27-19-28(2)30(4)42(29(27)3)31-25-46-47(26-31)34-20-33(44(8,9)10)21-36(23-34)49-35-15-16-38-37-13-11-12-14-39(37)48(40(38)24-35)41-22-32(17-18-45-41)43(5,6)7/h11-26H,1-10H3
InChIKeyUHHLFIZPGXQLEE-UHFFFAOYSA-N
MW646.88 g/mol
LogP11.65
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153414962) has the molecular formula C44H46N4O and a molecular weight of 646.88 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
PubChem CID153414962
Molecular FormulaC44H46N4O
Molecular Weight646.88 g/mol
Exact Mass646.37
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1cc(C)c(C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c2)c1C
InChIInChI=1S/C44H46N4O/c1-27-19-28(2)30(4)42(29(27)3)31-25-46-47(26-31)34-20-33(44(8,9)10)21-36(23-34)49-35-15-16-38-37-13-11-12-14-39(37)48(40(38)24-35)41-22-32(17-18-45-41)43(5,6)7/h11-26H,1-10H3
InChIKeyUHHLFIZPGXQLEE-UHFFFAOYSA-N
XLogP11.65
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413715
9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-methylpropyl)-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414964
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413685
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
CID 153413487
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanophenoxy]carbazole
CID 155623145
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153412974
2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413298
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414468
2-[3-butyl-5-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153414317
2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414490
2-[3-tert-butyl-5-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153415504
2-[3-methyl-5-[4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414360

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153414962) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1cc(C)c(C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c2)c1C.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The InChIKey is UHHLFIZPGXQLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N4O/c1-27-19-28(2)30(4)42(29(27)3)31-25-46-47(26-31)34-20-33(44(8,9)10)21-36(23-34)49-35-15-16-38-37-13-11-12-14-39(37)48(40(38)24-35)41-22-32(17-18-45-41)43(5,6)7/h11-26H,1-10H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 646.88 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153414962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).