4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine

C78H128N2O4 — CID 132565558

IUPAC4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine
SMILESCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCC)cc(-c2ccnc(-c3cc(-c4cc(OCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCC)c4)ccn3)c2)c1
InChIInChI=1S/C78H128N2O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-57-81-73-61-71(62-74(67-73)82-58-50-46-42-38-34-30-26-22-18-14-10-6-2)69-53-55-79-77(65-69)78-66-70(54-56-80-78)72-63-75(83-59-51-47-43-39-35-31-27-23-19-15-11-7-3)68-76(64-72)84-60-52-48-44-40-36-32-28-24-20-16-12-8-4/h53-56,61-68H,5-52,57-60H2,1-4H3
InChIKeyHWQSEIUAHSTWAX-UHFFFAOYSA-N
MW1157.89 g/mol
LogP25.80
Rot. Bonds59

About 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine

4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine (PubChem CID 132565558) has the molecular formula C78H128N2O4 and a molecular weight of 1157.89 g/mol. Its IUPAC name is 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine
PubChem CID132565558
Molecular FormulaC78H128N2O4
Molecular Weight1157.89 g/mol
Exact Mass1156.99
IUPAC Name4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine
SMILESCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCC)cc(-c2ccnc(-c3cc(-c4cc(OCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCC)c4)ccn3)c2)c1
InChIInChI=1S/C78H128N2O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-57-81-73-61-71(62-74(67-73)82-58-50-46-42-38-34-30-26-22-18-14-10-6-2)69-53-55-79-77(65-69)78-66-70(54-56-80-78)72-63-75(83-59-51-47-43-39-35-31-27-23-19-15-11-7-3)68-76(64-72)84-60-52-48-44-40-36-32-28-24-20-16-12-8-4/h53-56,61-68H,5-52,57-60H2,1-4H3
InChIKeyHWQSEIUAHSTWAX-UHFFFAOYSA-N
XLogP25.80
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds59
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.89
LogP ≤ 525.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-[4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 90097158
2-[3-(3,5-dihexoxyphenyl)-1H-pyrazol-5-yl]pyridine
CID 102144304
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
9,10-bis(3,5-didodecoxyphenyl)anthracene
CID 71317271
4-decoxypyridine-2-carboxylic acid
CID 152529644
1,3-dihexadecoxybenzene
CID 12686834
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,3,5-tributoxybenzene
CID 15933337
(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol
CID 156692842
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine (CID 132565558) is 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine is CCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCC)cc(-c2ccnc(-c3cc(-c4cc(OCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCC)c4)ccn3)c2)c1.
What is the InChIKey of 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine?
The InChIKey is HWQSEIUAHSTWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H128N2O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-57-81-73-61-71(62-74(67-73)82-58-50-46-42-38-34-30-26-22-18-14-10-6-2)69-53-55-79-77(65-69)78-66-70(54-56-80-78)72-63-75(83-59-51-47-43-39-35-31-27-23-19-15-11-7-3)68-76(64-72)84-60-52-48-44-40-36-32-28-24-20-16-12-8-4/h53-56,61-68H,5-52,57-60H2,1-4H3.
What are the key properties of 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine?
4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine has a molecular weight of 1157.89 g/mol, XLogP of 25.80, 59 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 132565558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).