3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol

C55H43N3O — CID 165148910

IUPAC3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3-c3cc(CCc4ccc(-c5ccccc5)nc4)cc(CCc4ccc(-c5ccccc5)nc4)c3)cn2)c1
InChIInChI=1S/C55H43N3O/c59-48-20-12-19-46(34-48)55-35-51(43-13-4-1-5-14-43)52(38-58-55)50-22-11-10-21-49(50)47-32-41(25-23-39-27-29-53(56-36-39)44-15-6-2-7-16-44)31-42(33-47)26-24-40-28-30-54(57-37-40)45-17-8-3-9-18-45/h1-22,27-38,59H,23-26H2
InChIKeyHCRUJZIMRHIXGV-UHFFFAOYSA-N
MW761.97 g/mol
LogP13.15
Rot. Bonds12

About 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol

3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol (PubChem CID 165148910) has the molecular formula C55H43N3O and a molecular weight of 761.97 g/mol. Its IUPAC name is 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol
PubChem CID165148910
Molecular FormulaC55H43N3O
Molecular Weight761.97 g/mol
Exact Mass761.34
IUPAC Name3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3-c3cc(CCc4ccc(-c5ccccc5)nc4)cc(CCc4ccc(-c5ccccc5)nc4)c3)cn2)c1
InChIInChI=1S/C55H43N3O/c59-48-20-12-19-46(34-48)55-35-51(43-13-4-1-5-14-43)52(38-58-55)50-22-11-10-21-49(50)47-32-41(25-23-39-27-29-53(56-36-39)44-15-6-2-7-16-44)31-42(33-47)26-24-40-28-30-54(57-37-40)45-17-8-3-9-18-45/h1-22,27-38,59H,23-26H2
InChIKeyHCRUJZIMRHIXGV-UHFFFAOYSA-N
XLogP13.15
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 513.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-diphenylborane
CID 165148311
2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 165149263
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-1H-pyridin-4-one
CID 165149434
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine
CID 165149245
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
6-[2-[3-[2-(6-carboxypyridazin-3-yl)ethyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]pyridazine-3-carboxylic acid
CID 165148248
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-2-phenylpyrimidine;iridium(3+)
CID 165148568
5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane
CID 158084559
4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-phenyl-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 164805132
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol (CID 165148910) is 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3-c3cc(CCc4ccc(-c5ccccc5)nc4)cc(CCc4ccc(-c5ccccc5)nc4)c3)cn2)c1.
What is the InChIKey of 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is HCRUJZIMRHIXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3O/c59-48-20-12-19-46(34-48)55-35-51(43-13-4-1-5-14-43)52(38-58-55)50-22-11-10-21-49(50)47-32-41(25-23-39-27-29-53(56-36-39)44-15-6-2-7-16-44)31-42(33-47)26-24-40-28-30-54(57-37-40)45-17-8-3-9-18-45/h1-22,27-38,59H,23-26H2.
What are the key properties of 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol?
3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 761.97 g/mol, XLogP of 13.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 165148910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).