1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole

C60H54N6 — CID 139178181

IUPAC1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole
SMILESCCc1c(Cn2nc(-c3ccccc3)cc2-c2ccccc2)c(CC)c(Cn2nc(-c3ccccc3)cc2-c2ccccc2)c(CC)c1Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C60H54N6/c1-4-49-52(40-64-58(46-31-19-10-20-32-46)37-55(61-64)43-25-13-7-14-26-43)50(5-2)54(42-66-60(48-35-23-12-24-36-48)39-57(63-66)45-29-17-9-18-30-45)51(6-3)53(49)41-65-59(47-33-21-11-22-34-47)38-56(62-65)44-27-15-8-16-28-44/h7-39H,4-6,40-42H2,1-3H3
InChIKeyDDHXNOQHLPRXNK-UHFFFAOYSA-N
MW859.13 g/mol
LogP14.11
Rot. Bonds15

About 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole

1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole (PubChem CID 139178181) has the molecular formula C60H54N6 and a molecular weight of 859.13 g/mol. Its IUPAC name is 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole.

Molecular Properties

Compound Name1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole
PubChem CID139178181
Molecular FormulaC60H54N6
Molecular Weight859.13 g/mol
Exact Mass858.44
IUPAC Name1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole
SMILESCCc1c(Cn2nc(-c3ccccc3)cc2-c2ccccc2)c(CC)c(Cn2nc(-c3ccccc3)cc2-c2ccccc2)c(CC)c1Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C60H54N6/c1-4-49-52(40-64-58(46-31-19-10-20-32-46)37-55(61-64)43-25-13-7-14-26-43)50(5-2)54(42-66-60(48-35-23-12-24-36-48)39-57(63-66)45-29-17-9-18-30-45)51(6-3)53(49)41-65-59(47-33-21-11-22-34-47)38-56(62-65)44-27-15-8-16-28-44/h7-39H,4-6,40-42H2,1-3H3
InChIKeyDDHXNOQHLPRXNK-UHFFFAOYSA-N
XLogP14.11
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.13
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole with MolForge

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Related Compounds

US11352339, Example 24
CID 130454504
US11352339, Example 25
CID 155211390
4,4'-(2,2'',3,3'',5,5'',6,6''-Octafluoro-5'-(2,3,5,6-tetrafluoro-4-(1-trityl-1H-pyrazol-4-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1-trityl-1H-pyrazole)
CID 77982341
5-[4-(4-Fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole
CID 135063685
1-[[4-[(3,5-Dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole
CID 658401
1,1',1"-((2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene))tris(3,5-dimethyl-1H-pyrazole)
CID 15190542
Tris(5-methyl-3-phenyl-1h-pyrazol-1-yl)methane
CID 11215888
1,1',1''-Methanetriyltris(3,5-diphenyl-1H-pyrazole)
CID 22472428
3-Methyl-4-[5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1,5-diphenylpyrazole
CID 76329802
3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole
CID 17025438
3,5-Bis(2-methylphenyl)-1-[(3-fluorophenyl)methyl]pyrazole
CID 19586970
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CID 19587375

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole?
The IUPAC name of 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole (CID 139178181) is 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole.
What is the SMILES notation for 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole?
The canonical SMILES for 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole is CCc1c(Cn2nc(-c3ccccc3)cc2-c2ccccc2)c(CC)c(Cn2nc(-c3ccccc3)cc2-c2ccccc2)c(CC)c1Cn1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole?
The InChIKey is DDHXNOQHLPRXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N6/c1-4-49-52(40-64-58(46-31-19-10-20-32-46)37-55(61-64)43-25-13-7-14-26-43)50(5-2)54(42-66-60(48-35-23-12-24-36-48)39-57(63-66)45-29-17-9-18-30-45)51(6-3)53(49)41-65-59(47-33-21-11-22-34-47)38-56(62-65)44-27-15-8-16-28-44/h7-39H,4-6,40-42H2,1-3H3.
What are the key properties of 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole?
1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole has a molecular weight of 859.13 g/mol, XLogP of 14.11, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis[(3,5-diphenylpyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-3,5-diphenylpyrazole is sourced from PubChem (CID 139178181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).