3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole

C50H38N8 — CID 153077723

IUPAC3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6cccc(-c7cc(-c8ccc(-c9cc(-c%10ccccc%10)n[nH]9)cc8)[nH]n7)c6)c(C)c5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/C50H38N8/c1-31-9-6-13-37(23-31)46-29-48(56-54-46)39-15-8-16-40(26-39)49-30-50(58-57-49)41-21-22-42(32(2)24-41)36-12-7-14-38(25-36)47-28-45(53-55-47)35-19-17-34(18-20-35)44-27-43(51-52-44)33-10-4-3-5-11-33/h3-30H,1-2H3,(H,51,52)(H,53,55)(H,54,56)(H,57,58)
InChIKeyVMQIWPNZAARNDM-UHFFFAOYSA-N
MW750.91 g/mol
LogP12.20
Rot. Bonds9

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

3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole (PubChem CID 153077723) has the molecular formula C50H38N8 and a molecular weight of 750.91 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole
PubChem CID153077723
Molecular FormulaC50H38N8
Molecular Weight750.91 g/mol
Exact Mass750.32
IUPAC Name3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole
SMILESCc1cccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6cccc(-c7cc(-c8ccc(-c9cc(-c%10ccccc%10)n[nH]9)cc8)[nH]n7)c6)c(C)c5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/C50H38N8/c1-31-9-6-13-37(23-31)46-29-48(56-54-46)39-15-8-16-40(26-39)49-30-50(58-57-49)41-21-22-42(32(2)24-41)36-12-7-14-38(25-36)47-28-45(53-55-47)35-19-17-34(18-20-35)44-27-43(51-52-44)33-10-4-3-5-11-33/h3-30H,1-2H3,(H,51,52)(H,53,55)(H,54,56)(H,57,58)
InChIKeyVMQIWPNZAARNDM-UHFFFAOYSA-N
XLogP12.20
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 512.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 11089757
5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole
CID 398009
5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CID 10959397
tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
9,10-Bis((3,5-dimethyl-1h-pyrazol-4-yl)methyl)anthracene
CID 102040638
1-(5-methyl-1H-pyrazol-3-yl)-N-[[2,4,6-triethyl-3,5-bis[[(5-methyl-1H-pyrazol-3-yl)methylideneamino]methyl]phenyl]methyl]methanimine
CID 137295687
1,2,4,5-Tetrakis(pyrazolyl-methyl)benzene
CID 138404280
CID 139065503
CID 139065503
CID 139065798
CID 139065798
Di-mu-methoxido-kappa^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-kappaN^2^)copper(II)] bis(perchlorate)
CID 139073226
Di-mu-methanolato-kappa^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-kappaN^2^)(nitrato-kappaO)copper(II)]
CID 139083477
CID 139090023
CID 139090023

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole?
The IUPAC name of 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole (CID 153077723) is 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole is Cc1cccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6cccc(-c7cc(-c8ccc(-c9cc(-c%10ccccc%10)n[nH]9)cc8)[nH]n7)c6)c(C)c5)n[nH]4)c3)[nH]n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole?
The InChIKey is VMQIWPNZAARNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N8/c1-31-9-6-13-37(23-31)46-29-48(56-54-46)39-15-8-16-40(26-39)49-30-50(58-57-49)41-21-22-42(32(2)24-41)36-12-7-14-38(25-36)47-28-45(53-55-47)35-19-17-34(18-20-35)44-27-43(51-52-44)33-10-4-3-5-11-33/h3-30H,1-2H3,(H,51,52)(H,53,55)(H,54,56)(H,57,58).
What are the key properties of 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole?
3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole has a molecular weight of 750.91 g/mol, XLogP of 12.20, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-[3-[3-[3-methyl-4-[3-[5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]phenyl]phenyl]-1H-pyrazol-5-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 153077723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).