2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine

C61H41N9 — CID 153458213

IUPAC2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(-c6ncnn6-c6ccc(-c7ccccc7)nc6)cc(-c6ncnn6-c6ccc(-c7ccccc7)nc6)c5)cn4)c3)cc2)cc1
InChIInChI=1S/C61H41N9/c1-4-13-42(14-5-1)43-23-25-44(26-24-43)47-19-12-20-48(33-47)59-30-27-49(37-62-59)55-21-10-11-22-56(55)50-34-51(60-65-40-67-69(60)53-28-31-57(63-38-53)45-15-6-2-7-16-45)36-52(35-50)61-66-41-68-70(61)54-29-32-58(64-39-54)46-17-8-3-9-18-46/h1-41H
InChIKeyDIOLLKMTKIDQIC-UHFFFAOYSA-N
MW900.06 g/mol
LogP14.04
Rot. Bonds11

About 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine

2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 153458213) has the molecular formula C61H41N9 and a molecular weight of 900.06 g/mol. Its IUPAC name is 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID153458213
Molecular FormulaC61H41N9
Molecular Weight900.06 g/mol
Exact Mass899.35
IUPAC Name2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(-c6ncnn6-c6ccc(-c7ccccc7)nc6)cc(-c6ncnn6-c6ccc(-c7ccccc7)nc6)c5)cn4)c3)cc2)cc1
InChIInChI=1S/C61H41N9/c1-4-13-42(14-5-1)43-23-25-44(26-24-43)47-19-12-20-48(33-47)59-30-27-49(37-62-59)55-21-10-11-22-56(55)50-34-51(60-65-40-67-69(60)53-28-31-57(63-38-53)45-15-6-2-7-16-45)36-52(35-50)61-66-41-68-70(61)54-29-32-58(64-39-54)46-17-8-3-9-18-46/h1-41H
InChIKeyDIOLLKMTKIDQIC-UHFFFAOYSA-N
XLogP14.04
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.06
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine with MolForge

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Related Compounds

2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[1-(6-phenyl-3-pyridinyl)imidazol-2-yl]phenyl]imidazol-1-yl]pyridine
CID 142438949
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
5-[2-[3-[2-(3-methyl-2-phenylimidazol-4-yl)phenyl]-5-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyridine
CID 153458691
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
5-[2-[3,5-bis[2-[6-[3-(2-phenylethynyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2-phenylethynyl)phenyl]pyridine
CID 153429602

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine (CID 153458213) is 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine is c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(-c6ncnn6-c6ccc(-c7ccccc7)nc6)cc(-c6ncnn6-c6ccc(-c7ccccc7)nc6)c5)cn4)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is DIOLLKMTKIDQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N9/c1-4-13-42(14-5-1)43-23-25-44(26-24-43)47-19-12-20-48(33-47)59-30-27-49(37-62-59)55-21-10-11-22-56(55)50-34-51(60-65-40-67-69(60)53-28-31-57(63-38-53)45-15-6-2-7-16-45)36-52(35-50)61-66-41-68-70(61)54-29-32-58(64-39-54)46-17-8-3-9-18-46/h1-41H.
What are the key properties of 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine?
2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 900.06 g/mol, XLogP of 14.04, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[5-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 153458213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).