3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole

C69H52N12 — CID 147807635

IUPAC3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(C)c5)n[nH]4)c(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8cc(-c9cc(-c%10ccccc%10)[nH]n9)cc(-c9cc(-c%10ccccc%10)n[nH]9)c8)[nH]n7)cc6)c(C)c5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/C69H52N12/c1-41-12-10-18-48(28-41)61-38-62(74-73-61)51-25-27-56(68-39-63(75-80-68)49-19-11-13-42(2)29-49)57(34-51)69-40-64(76-81-69)50-24-26-55(43(3)30-50)44-20-22-47(23-21-44)60-37-67(79-72-60)54-32-52(65-35-58(70-77-65)45-14-6-4-7-15-45)31-53(33-54)66-36-59(71-78-66)46-16-8-5-9-17-46/h4-40H,1-3H3,(H,70,77)(H,71,78)(H,72,79)(H,73,74)(H,75,80)(H,76,81)
InChIKeyHMSZXLXIZBWQJF-UHFFFAOYSA-N
MW1049.26 g/mol
LogP16.62
Rot. Bonds13

About 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole

3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (PubChem CID 147807635) has the molecular formula C69H52N12 and a molecular weight of 1049.26 g/mol. Its IUPAC name is 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
PubChem CID147807635
Molecular FormulaC69H52N12
Molecular Weight1049.26 g/mol
Exact Mass1048.44
IUPAC Name3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(C)c5)n[nH]4)c(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8cc(-c9cc(-c%10ccccc%10)[nH]n9)cc(-c9cc(-c%10ccccc%10)n[nH]9)c8)[nH]n7)cc6)c(C)c5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/C69H52N12/c1-41-12-10-18-48(28-41)61-38-62(74-73-61)51-25-27-56(68-39-63(75-80-68)49-19-11-13-42(2)29-49)57(34-51)69-40-64(76-81-69)50-24-26-55(43(3)30-50)44-20-22-47(23-21-44)60-37-67(79-72-60)54-32-52(65-35-58(70-77-65)45-14-6-4-7-15-45)31-53(33-54)66-36-59(71-78-66)46-16-8-5-9-17-46/h4-40H,1-3H3,(H,70,77)(H,71,78)(H,72,79)(H,73,74)(H,75,80)(H,76,81)
InChIKeyHMSZXLXIZBWQJF-UHFFFAOYSA-N
XLogP16.62
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001049.26
LogP ≤ 516.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole with MolForge

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Related Compounds

5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole
CID 398009
tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
1,2,4,5-Tetrakis(pyrazolyl-methyl)benzene
CID 138404280
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065503
CID 139065503
CID 139065798
CID 139065798
CID 139090023
CID 139090023
Dodecasilver;heptakis(3-methyl-5-phenylpyrazol-1-ide);pentakis(5-methyl-3-phenylpyrazol-1-ide)
CID 139146360
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);lanthanum(3+)
CID 139155638
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);neodymium(3+)
CID 139155639
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);gadolinium(3+)
CID 139155640
bis(3,5-diphenyl-1H-pyrazole);tris(3,5-diphenylpyrazol-1-ide);erbium(3+)
CID 139155641

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The IUPAC name of 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (CID 147807635) is 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole is Cc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(C)c5)n[nH]4)c(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8cc(-c9cc(-c%10ccccc%10)[nH]n9)cc(-c9cc(-c%10ccccc%10)n[nH]9)c8)[nH]n7)cc6)c(C)c5)n[nH]4)c3)[nH]n2)c1.
What is the InChIKey of 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The InChIKey is HMSZXLXIZBWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N12/c1-41-12-10-18-48(28-41)61-38-62(74-73-61)51-25-27-56(68-39-63(75-80-68)49-19-11-13-42(2)29-49)57(34-51)69-40-64(76-81-69)50-24-26-55(43(3)30-50)44-20-22-47(23-21-44)60-37-67(79-72-60)54-32-52(65-35-58(70-77-65)45-14-6-4-7-15-45)31-53(33-54)66-36-59(71-78-66)46-16-8-5-9-17-46/h4-40H,1-3H3,(H,70,77)(H,71,78)(H,72,79)(H,73,74)(H,75,80)(H,76,81).
What are the key properties of 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole has a molecular weight of 1049.26 g/mol, XLogP of 16.62, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[5-[2,5-bis[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenyl]-1H-pyrazol-3-yl]-2-methylphenyl]phenyl]-5-[3-(3-phenyl-1H-pyrazol-5-yl)-5-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 147807635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).