1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole

C87H62N8 — CID 123665092

IUPAC1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole
SMILESCCc1nn(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1cc(-c2cn(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nn2)cc(-c2cn(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nn2)c1
InChIInChI=1S/C87H62N8/c1-2-85-84(57-93(90-85)81-39-21-36-66(54-81)75-45-69(60-24-9-3-10-25-60)42-70(46-75)61-26-11-4-12-27-61)78-51-79(86-58-94(91-88-86)82-40-22-37-67(55-82)76-47-71(62-28-13-5-14-29-62)43-72(48-76)63-30-15-6-16-31-63)53-80(52-78)87-59-95(92-89-87)83-41-23-38-68(56-83)77-49-73(64-32-17-7-18-33-64)44-74(50-77)65-34-19-8-20-35-65/h3-59H,2H2,1H3
InChIKeyRTKPNEGAWGDZKZ-UHFFFAOYSA-N
MW1219.51 g/mol
LogP21.60
Rot. Bonds16

About 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole

1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole (PubChem CID 123665092) has the molecular formula C87H62N8 and a molecular weight of 1219.51 g/mol. Its IUPAC name is 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole.

Molecular Properties

Compound Name1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole
PubChem CID123665092
Molecular FormulaC87H62N8
Molecular Weight1219.51 g/mol
Exact Mass1218.51
IUPAC Name1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole
SMILESCCc1nn(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1cc(-c2cn(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nn2)cc(-c2cn(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nn2)c1
InChIInChI=1S/C87H62N8/c1-2-85-84(57-93(90-85)81-39-21-36-66(54-81)75-45-69(60-24-9-3-10-25-60)42-70(46-75)61-26-11-4-12-27-61)78-51-79(86-58-94(91-88-86)82-40-22-37-67(55-82)76-47-71(62-28-13-5-14-29-62)43-72(48-76)63-30-15-6-16-31-63)53-80(52-78)87-59-95(92-89-87)83-41-23-38-68(56-83)77-49-73(64-32-17-7-18-33-64)44-74(50-77)65-34-19-8-20-35-65/h3-59H,2H2,1H3
InChIKeyRTKPNEGAWGDZKZ-UHFFFAOYSA-N
XLogP21.60
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.51
LogP ≤ 521.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole with MolForge

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Related Compounds

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CID 140714352
methyl 4-[1-(3-phenylphenyl)triazol-4-yl]benzoate
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1-(3-methylphenyl)-4-(4-methylphenyl)triazole
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1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
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4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[1-(4-phenylphenyl)triazol-4-yl]phenyl]-1-(4-phenylphenyl)triazole
CID 139181838
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
10-[3-(1-phenyltriazol-4-yl)phenyl]phenothiazine
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6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine
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3-phenyl-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]benzoic acid
CID 175917729

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole?
The IUPAC name of 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole (CID 123665092) is 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole.
What is the SMILES notation for 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole?
The canonical SMILES for 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole is CCc1nn(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1cc(-c2cn(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nn2)cc(-c2cn(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)nn2)c1.
What is the InChIKey of 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole?
The InChIKey is RTKPNEGAWGDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H62N8/c1-2-85-84(57-93(90-85)81-39-21-36-66(54-81)75-45-69(60-24-9-3-10-25-60)42-70(46-75)61-26-11-4-12-27-61)78-51-79(86-58-94(91-88-86)82-40-22-37-67(55-82)76-47-71(62-28-13-5-14-29-62)43-72(48-76)63-30-15-6-16-31-63)53-80(52-78)87-59-95(92-89-87)83-41-23-38-68(56-83)77-49-73(64-32-17-7-18-33-64)44-74(50-77)65-34-19-8-20-35-65/h3-59H,2H2,1H3.
What are the key properties of 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole?
1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole has a molecular weight of 1219.51 g/mol, XLogP of 21.60, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[1-[3-(3,5-diphenylphenyl)phenyl]-3-ethylpyrazol-4-yl]-5-[1-[3-(3,5-diphenylphenyl)phenyl]triazol-4-yl]phenyl]triazole is sourced from PubChem (CID 123665092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).