5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine

C80H76N2O2 — CID 59101751

IUPAC5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine
SMILESC#CC#CC#CC#COc1ccc2c(-c3ccc(C)cc3)c3cc(OCCCCCCCC)ccc3c(-c3ccc(-c4ccc5c(-c6ccc(CCCCCC)cn6)c6cc(C)ccc6c(-c6ccc(CCCCCC)cn6)c5c4)cc3)c2c1
InChIInChI=1S/C80H76N2O2/c1-7-11-15-19-21-25-49-83-65-42-46-68-73(53-65)77(62-34-29-57(5)30-35-62)67-45-41-66(84-50-26-22-20-16-12-8-2)54-74(67)78(68)63-38-36-61(37-39-63)64-40-44-70-72(52-64)80(76-48-33-60(56-82-76)28-24-18-14-10-4)69-43-31-58(6)51-71(69)79(70)75-47-32-59(55-81-75)27-23-17-13-9-3/h2,29-48,51-56H,7,9-11,13-15,17-19,21,23-25,27-28,49H2,1,3-6H3
InChIKeySEQWEICRSXGKDD-UHFFFAOYSA-N
MW1097.50 g/mol
LogP21.01
Rot. Bonds24

About 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine

5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine (PubChem CID 59101751) has the molecular formula C80H76N2O2 and a molecular weight of 1097.50 g/mol. Its IUPAC name is 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine
PubChem CID59101751
Molecular FormulaC80H76N2O2
Molecular Weight1097.50 g/mol
Exact Mass1096.59
IUPAC Name5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine
SMILESC#CC#CC#CC#COc1ccc2c(-c3ccc(C)cc3)c3cc(OCCCCCCCC)ccc3c(-c3ccc(-c4ccc5c(-c6ccc(CCCCCC)cn6)c6cc(C)ccc6c(-c6ccc(CCCCCC)cn6)c5c4)cc3)c2c1
InChIInChI=1S/C80H76N2O2/c1-7-11-15-19-21-25-49-83-65-42-46-68-73(53-65)77(62-34-29-57(5)30-35-62)67-45-41-66(84-50-26-22-20-16-12-8-2)54-74(67)78(68)63-38-36-61(37-39-63)64-40-44-70-72(52-64)80(76-48-33-60(56-82-76)28-24-18-14-10-4)69-43-31-58(6)51-71(69)79(70)75-47-32-59(55-81-75)27-23-17-13-9-3/h2,29-48,51-56H,7,9-11,13-15,17-19,21,23-25,27-28,49H2,1,3-6H3
InChIKeySEQWEICRSXGKDD-UHFFFAOYSA-N
XLogP21.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.50
LogP ≤ 521.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine with MolForge

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Related Compounds

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3-(6-Ethoxynaphthalen-2-yl)pyridine
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3-Ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034346
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
CID 25034427
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
[3-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618142
[4-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618143
6-Phenyl-7-(piperidin-4-yloxy)isoquinoline
CID 42618144

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine?
The IUPAC name of 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine (CID 59101751) is 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine?
The canonical SMILES for 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine is C#CC#CC#CC#COc1ccc2c(-c3ccc(C)cc3)c3cc(OCCCCCCCC)ccc3c(-c3ccc(-c4ccc5c(-c6ccc(CCCCCC)cn6)c6cc(C)ccc6c(-c6ccc(CCCCCC)cn6)c5c4)cc3)c2c1.
What is the InChIKey of 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine?
The InChIKey is SEQWEICRSXGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H76N2O2/c1-7-11-15-19-21-25-49-83-65-42-46-68-73(53-65)77(62-34-29-57(5)30-35-62)67-45-41-66(84-50-26-22-20-16-12-8-2)54-74(67)78(68)63-38-36-61(37-39-63)64-40-44-70-72(52-64)80(76-48-33-60(56-82-76)28-24-18-14-10-4)69-43-31-58(6)51-71(69)79(70)75-47-32-59(55-81-75)27-23-17-13-9-3/h2,29-48,51-56H,7,9-11,13-15,17-19,21,23-25,27-28,49H2,1,3-6H3.
What are the key properties of 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine?
5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine has a molecular weight of 1097.50 g/mol, XLogP of 21.01, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-[10-(5-hexyl-2-pyridinyl)-2-methyl-6-[4-[10-(4-methylphenyl)-2-octa-1,3,5,7-tetraynoxy-6-octoxyanthracen-9-yl]phenyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 59101751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).