4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline

C54H48N6O2 — CID 42645166

IUPAC4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccc(OCc4cccc(COc5ccc(-c6cc(-c7ccc(N(C)C)cc7)n(-c7ccccc7)n6)cc5)c4)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C54H48N6O2/c1-57(2)45-26-18-43(19-27-45)53-35-51(55-59(53)47-14-7-5-8-15-47)41-22-30-49(31-23-41)61-37-39-12-11-13-40(34-39)38-62-50-32-24-42(25-33-50)52-36-54(44-20-28-46(29-21-44)58(3)4)60(56-52)48-16-9-6-10-17-48/h5-36H,37-38H2,1-4H3
InChIKeyJFSLKSGTTKGMSY-UHFFFAOYSA-N
MW813.02 g/mol
LogP12.02
Rot. Bonds14

About 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline

4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline (PubChem CID 42645166) has the molecular formula C54H48N6O2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline
PubChem CID42645166
Molecular FormulaC54H48N6O2
Molecular Weight813.02 g/mol
Exact Mass812.38
IUPAC Name4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccc(OCc4cccc(COc5ccc(-c6cc(-c7ccc(N(C)C)cc7)n(-c7ccccc7)n6)cc5)c4)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C54H48N6O2/c1-57(2)45-26-18-43(19-27-45)53-35-51(55-59(53)47-14-7-5-8-15-47)41-22-30-49(31-23-41)61-37-39-12-11-13-40(34-39)38-62-50-32-24-42(25-33-50)52-36-54(44-20-28-46(29-21-44)58(3)4)60(56-52)48-16-9-6-10-17-48/h5-36H,37-38H2,1-4H3
InChIKeyJFSLKSGTTKGMSY-UHFFFAOYSA-N
XLogP12.02
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline with MolForge

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Related Compounds

N,N-dimethyl-4-(1-phenyl-3-thiophen-3-ylpyrazol-5-yl)aniline
CID 102187147
1,3,5-triphenylpyrazole
CID 626614
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
2-[[4-(3,5-diphenylpyrazol-1-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801756
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 59499901

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline (CID 42645166) is 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cc(-c3ccc(OCc4cccc(COc5ccc(-c6cc(-c7ccc(N(C)C)cc7)n(-c7ccccc7)n6)cc5)c4)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline?
The InChIKey is JFSLKSGTTKGMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N6O2/c1-57(2)45-26-18-43(19-27-45)53-35-51(55-59(53)47-14-7-5-8-15-47)41-22-30-49(31-23-41)61-37-39-12-11-13-40(34-39)38-62-50-32-24-42(25-33-50)52-36-54(44-20-28-46(29-21-44)58(3)4)60(56-52)48-16-9-6-10-17-48/h5-36H,37-38H2,1-4H3.
What are the key properties of 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline?
4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline has a molecular weight of 813.02 g/mol, XLogP of 12.02, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[3-[[4-[5-[4-(dimethylamino)phenyl]-1-phenylpyrazol-3-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-phenylpyrazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 42645166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).