4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine

C50H72N2O4 — CID 132565557

IUPAC4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine
SMILESCCCCCCCOc1cc(OCCCCCCC)cc(-c2ccnc(-c3cc(-c4cc(OCCCCCCC)cc(OCCCCCCC)c4)ccn3)c2)c1
InChIInChI=1S/C50H72N2O4/c1-5-9-13-17-21-29-53-45-33-43(34-46(39-45)54-30-22-18-14-10-6-2)41-25-27-51-49(37-41)50-38-42(26-28-52-50)44-35-47(55-31-23-19-15-11-7-3)40-48(36-44)56-32-24-20-16-12-8-4/h25-28,33-40H,5-24,29-32H2,1-4H3
InChIKeyAPJVWWFFYDVCSP-UHFFFAOYSA-N
MW765.14 g/mol
LogP14.87
Rot. Bonds31

About 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine

4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine (PubChem CID 132565557) has the molecular formula C50H72N2O4 and a molecular weight of 765.14 g/mol. Its IUPAC name is 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine
PubChem CID132565557
Molecular FormulaC50H72N2O4
Molecular Weight765.14 g/mol
Exact Mass764.55
IUPAC Name4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine
SMILESCCCCCCCOc1cc(OCCCCCCC)cc(-c2ccnc(-c3cc(-c4cc(OCCCCCCC)cc(OCCCCCCC)c4)ccn3)c2)c1
InChIInChI=1S/C50H72N2O4/c1-5-9-13-17-21-29-53-45-33-43(34-46(39-45)54-30-22-18-14-10-6-2)41-25-27-51-49(37-41)50-38-42(26-28-52-50)44-35-47(55-31-23-19-15-11-7-3)40-48(36-44)56-32-24-20-16-12-8-4/h25-28,33-40H,5-24,29-32H2,1-4H3
InChIKeyAPJVWWFFYDVCSP-UHFFFAOYSA-N
XLogP14.87
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.14
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine with MolForge

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Related Compounds

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Ldn-214117
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7-(3,5-Dimethoxyphenyl)-1,6-naphthyridine
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7-(3,5-Dimethoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434752
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
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CID 11595246
2-{3-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxy]-prop-1-ynyl}-pyridine (0.1 hydrate)
CID 14985911
3-(2,4-Dimethoxybenzyl)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 46907472
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
2,4-Bis(3,4,5-trimethoxyphenyl)pyridine
CID 90670570
1-[4-[5-(3,5-Dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
CID 118392585

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine (CID 132565557) is 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine is CCCCCCCOc1cc(OCCCCCCC)cc(-c2ccnc(-c3cc(-c4cc(OCCCCCCC)cc(OCCCCCCC)c4)ccn3)c2)c1.
What is the InChIKey of 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine?
The InChIKey is APJVWWFFYDVCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H72N2O4/c1-5-9-13-17-21-29-53-45-33-43(34-46(39-45)54-30-22-18-14-10-6-2)41-25-27-51-49(37-41)50-38-42(26-28-52-50)44-35-47(55-31-23-19-15-11-7-3)40-48(36-44)56-32-24-20-16-12-8-4/h25-28,33-40H,5-24,29-32H2,1-4H3.
What are the key properties of 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine?
4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine has a molecular weight of 765.14 g/mol, XLogP of 14.87, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diheptoxyphenyl)-2-[4-(3,5-diheptoxyphenyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 132565557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).