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

C47H52N4O — CID 153414317

IUPAC2-[3-butyl-5-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2cc(-c3c(C(C)C)cc(C)cc3C(C)C)cn2)c1
InChIInChI=1S/C47H52N4O/c1-10-11-14-33-23-36(50-29-34(28-49-50)46-41(30(2)3)21-32(6)22-42(46)31(4)5)26-38(24-33)52-37-17-18-40-39-15-12-13-16-43(39)51(44(40)27-37)45-25-35(19-20-48-45)47(7,8)9/h12-13,15-31H,10-11,14H2,1-9H3
InChIKeyAPQAEPLQVMNGOQ-UHFFFAOYSA-N
MW688.96 g/mol
LogP13.02
Rot. Bonds10

About 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

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 (PubChem CID 153414317) has the molecular formula C47H52N4O and a molecular weight of 688.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[3-butyl-5-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID153414317
Molecular FormulaC47H52N4O
Molecular Weight688.96 g/mol
Exact Mass688.41
IUPAC Name2-[3-butyl-5-[4-[4-methyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2cc(-c3c(C(C)C)cc(C)cc3C(C)C)cn2)c1
InChIInChI=1S/C47H52N4O/c1-10-11-14-33-23-36(50-29-34(28-49-50)46-41(30(2)3)21-32(6)22-42(46)31(4)5)26-38(24-33)52-37-17-18-40-39-15-12-13-16-43(39)51(44(40)27-37)45-25-35(19-20-48-45)47(7,8)9/h12-13,15-31H,10-11,14H2,1-9H3
InChIKeyAPQAEPLQVMNGOQ-UHFFFAOYSA-N
XLogP13.02
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.96
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-methylpropyl)-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414964
2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413715
2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]-5-butylphenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole
CID 153413216
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414962
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
2-[3-[4-(2,6-dibutyl-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413304
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413685
2-[3-[4-(3,5-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413320
2-[3-[4-(2,6-ditert-butyl-3,4,5-tripropylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413408
2-[3-[4-(2,6-dibutyl-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153414112
2-[3-[4-[2,6-di(propan-2-yl)-3-propylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2cc(-c3c(C(C)C)cc(C)cc3C(C)C)cn2)c1.
What is the InChIKey of 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?
The InChIKey is APQAEPLQVMNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52N4O/c1-10-11-14-33-23-36(50-29-34(28-49-50)46-41(30(2)3)21-32(6)22-42(46)31(4)5)26-38(24-33)52-37-17-18-40-39-15-12-13-16-43(39)51(44(40)27-37)45-25-35(19-20-48-45)47(7,8)9/h12-13,15-31H,10-11,14H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 688.96 g/mol, XLogP of 13.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153414317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).