2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine

C55H41N5 — CID 139429234

IUPAC2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
SMILESc1ccc(-c2ccnc(-c3ccc(CCc4cc(-c5ccccc5-c5ccc(-n6cccn6)cc5)cc(-c5ccccc5-c5ccc(-n6cccn6)cc5)c4)cc3)c2)cc1
InChIInChI=1S/C55H41N5/c1-2-10-42(11-3-1)46-30-33-56-55(39-46)45-20-18-40(19-21-45)16-17-41-36-47(53-14-6-4-12-51(53)43-22-26-49(27-23-43)59-34-8-31-57-59)38-48(37-41)54-15-7-5-13-52(54)44-24-28-50(29-25-44)60-35-9-32-58-60/h1-15,18-39H,16-17H2
InChIKeyPAAVYUXALJFLBL-UHFFFAOYSA-N
MW771.97 g/mol
LogP13.24
Rot. Bonds11

About 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine

2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine (PubChem CID 139429234) has the molecular formula C55H41N5 and a molecular weight of 771.97 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
PubChem CID139429234
Molecular FormulaC55H41N5
Molecular Weight771.97 g/mol
Exact Mass771.34
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
SMILESc1ccc(-c2ccnc(-c3ccc(CCc4cc(-c5ccccc5-c5ccc(-n6cccn6)cc5)cc(-c5ccccc5-c5ccc(-n6cccn6)cc5)c4)cc3)c2)cc1
InChIInChI=1S/C55H41N5/c1-2-10-42(11-3-1)46-30-33-56-55(39-46)45-20-18-40(19-21-45)16-17-41-36-47(53-14-6-4-12-51(53)43-22-26-49(27-23-43)59-34-8-31-57-59)38-48(37-41)54-15-7-5-13-52(54)44-24-28-50(29-25-44)60-35-9-32-58-60/h1-15,18-39H,16-17H2
InChIKeyPAAVYUXALJFLBL-UHFFFAOYSA-N
XLogP13.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.97
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165149093
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458259
5-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]benzene-1,3-dicarbonitrile
CID 165148385
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148303
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-[4-(3-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 165148822
8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
CID 165148897
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
CID 165149239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine (CID 139429234) is 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine is c1ccc(-c2ccnc(-c3ccc(CCc4cc(-c5ccccc5-c5ccc(-n6cccn6)cc5)cc(-c5ccccc5-c5ccc(-n6cccn6)cc5)c4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine?
The InChIKey is PAAVYUXALJFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N5/c1-2-10-42(11-3-1)46-30-33-56-55(39-46)45-20-18-40(19-21-45)16-17-41-36-47(53-14-6-4-12-51(53)43-22-26-49(27-23-43)59-34-8-31-57-59)38-48(37-41)54-15-7-5-13-52(54)44-24-28-50(29-25-44)60-35-9-32-58-60/h1-15,18-39H,16-17H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine?
2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine has a molecular weight of 771.97 g/mol, XLogP of 13.24, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine is sourced from PubChem (CID 139429234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).