5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine

C65H43N5O — CID 153458193

IUPAC5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine
SMILESc1ccc(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5ccccc5)c4)c3)cn2)cc1
InChIInChI=1S/C65H43N5O/c1-3-18-53(19-4-1)69-42-51(40-67-69)59-26-11-9-24-57(59)49-35-48(36-50(37-49)58-25-10-12-27-60(58)52-41-68-70(43-52)54-20-5-2-6-21-54)56-23-8-7-22-55(56)47-31-33-63(66-39-47)46-17-15-16-44(34-46)45-30-32-62-61-28-13-14-29-64(61)71-65(62)38-45/h1-43H
InChIKeyQGWZKNOBHPAAAE-UHFFFAOYSA-N
MW910.09 g/mol
LogP16.69
Rot. Bonds10

About 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine

5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine (PubChem CID 153458193) has the molecular formula C65H43N5O and a molecular weight of 910.09 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine
PubChem CID153458193
Molecular FormulaC65H43N5O
Molecular Weight910.09 g/mol
Exact Mass909.35
IUPAC Name5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine
SMILESc1ccc(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5ccccc5)c4)c3)cn2)cc1
InChIInChI=1S/C65H43N5O/c1-3-18-53(19-4-1)69-42-51(40-67-69)59-26-11-9-24-57(59)49-35-48(36-50(37-49)58-25-10-12-27-60(58)52-41-68-70(43-52)54-20-5-2-6-21-54)56-23-8-7-22-55(56)47-31-33-63(66-39-47)46-17-15-16-44(34-46)45-30-32-62-61-28-13-14-29-64(61)71-65(62)38-45/h1-43H
InChIKeyQGWZKNOBHPAAAE-UHFFFAOYSA-N
XLogP16.69
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.09
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-1-[3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458016
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
CID 159641565
2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
CID 140818836
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine (CID 153458193) is 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine is c1ccc(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5ccccc5)c4)c3)cn2)cc1.
What is the InChIKey of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine?
The InChIKey is QGWZKNOBHPAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N5O/c1-3-18-53(19-4-1)69-42-51(40-67-69)59-26-11-9-24-57(59)49-35-48(36-50(37-49)58-25-10-12-27-60(58)52-41-68-70(43-52)54-20-5-2-6-21-54)56-23-8-7-22-55(56)47-31-33-63(66-39-47)46-17-15-16-44(34-46)45-30-32-62-61-28-13-14-29-64(61)71-65(62)38-45/h1-43H.
What are the key properties of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine?
5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine has a molecular weight of 910.09 g/mol, XLogP of 16.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine is sourced from PubChem (CID 153458193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).