5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole

C46H46N4 — CID 90067103

IUPAC5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole
SMILESCc1cc(C)c(-c2ccnn2-c2ccc(CCc3cccc(CCc4ccc(-n5nccc5-c5c(C)cc(C)cc5C)cc4)c3)cc2)c(C)c1
InChIInChI=1S/C46H46N4/c1-31-26-33(3)45(34(4)27-31)43-22-24-47-49(43)41-18-14-37(15-19-41)10-12-39-8-7-9-40(30-39)13-11-38-16-20-42(21-17-38)50-44(23-25-48-50)46-35(5)28-32(2)29-36(46)6/h7-9,14-30H,10-13H2,1-6H3
InChIKeyLRTBRPNFIMZGMM-UHFFFAOYSA-N
MW654.90 g/mol
LogP10.81
Rot. Bonds10

About 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole

5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole (PubChem CID 90067103) has the molecular formula C46H46N4 and a molecular weight of 654.90 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole
PubChem CID90067103
Molecular FormulaC46H46N4
Molecular Weight654.90 g/mol
Exact Mass654.37
IUPAC Name5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole
SMILESCc1cc(C)c(-c2ccnn2-c2ccc(CCc3cccc(CCc4ccc(-n5nccc5-c5c(C)cc(C)cc5C)cc4)c3)cc2)c(C)c1
InChIInChI=1S/C46H46N4/c1-31-26-33(3)45(34(4)27-31)43-22-24-47-49(43)41-18-14-37(15-19-41)10-12-39-8-7-9-40(30-39)13-11-38-16-20-42(21-17-38)50-44(23-25-48-50)46-35(5)28-32(2)29-36(46)6/h7-9,14-30H,10-13H2,1-6H3
InChIKeyLRTBRPNFIMZGMM-UHFFFAOYSA-N
XLogP10.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.90
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole?
The IUPAC name of 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole (CID 90067103) is 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole.
What is the SMILES notation for 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole?
The canonical SMILES for 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole is Cc1cc(C)c(-c2ccnn2-c2ccc(CCc3cccc(CCc4ccc(-n5nccc5-c5c(C)cc(C)cc5C)cc4)c3)cc2)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole?
The InChIKey is LRTBRPNFIMZGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N4/c1-31-26-33(3)45(34(4)27-31)43-22-24-47-49(43)41-18-14-37(15-19-41)10-12-39-8-7-9-40(30-39)13-11-38-16-20-42(21-17-38)50-44(23-25-48-50)46-35(5)28-32(2)29-36(46)6/h7-9,14-30H,10-13H2,1-6H3.
What are the key properties of 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole?
5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole has a molecular weight of 654.90 g/mol, XLogP of 10.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenyl)-1-[4-[2-[3-[2-[4-[5-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenyl]ethyl]phenyl]ethyl]phenyl]pyrazole is sourced from PubChem (CID 90067103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).