4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine

C50H54N2O4 — CID 102423315

IUPAC4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine
SMILESCCCOc1c2cccc1Cc1cc(-c3ccncc3)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(-c3ccncc3)cc(c1OCCC)C2
InChIInChI=1S/C50H54N2O4/c1-5-23-53-47-37-11-9-12-38(47)28-44-32-42(36-17-21-52-22-18-36)34-46(50(44)56-26-8-4)30-40-14-10-13-39(48(40)54-24-6-2)29-45-33-41(35-15-19-51-20-16-35)31-43(27-37)49(45)55-25-7-3/h9-22,31-34H,5-8,23-30H2,1-4H3
InChIKeyFEOUDBHAOKSXNB-UHFFFAOYSA-N
MW746.99 g/mol
LogP11.64
Rot. Bonds14

About 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine

4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine (PubChem CID 102423315) has the molecular formula C50H54N2O4 and a molecular weight of 746.99 g/mol. Its IUPAC name is 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine.

Molecular Properties

Compound Name4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine
PubChem CID102423315
Molecular FormulaC50H54N2O4
Molecular Weight746.99 g/mol
Exact Mass746.41
IUPAC Name4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine
SMILESCCCOc1c2cccc1Cc1cc(-c3ccncc3)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(-c3ccncc3)cc(c1OCCC)C2
InChIInChI=1S/C50H54N2O4/c1-5-23-53-47-37-11-9-12-38(47)28-44-32-42(36-17-21-52-22-18-36)34-46(50(44)56-26-8-4)30-40-14-10-13-39(48(40)54-24-6-2)29-45-33-41(35-15-19-51-20-16-35)31-43(27-37)49(45)55-25-7-3/h9-22,31-34H,5-8,23-30H2,1-4H3
InChIKeyFEOUDBHAOKSXNB-UHFFFAOYSA-N
XLogP11.64
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.99
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine with MolForge

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Related Compounds

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1-[4-(2,4-Dipentylphenoxy)butyl]-3-methylpyridin-1-ium chloride
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1-{4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl}-4-methylpyridinium
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4-(4-Butoxy-phenyl)-pyridine
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N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983840
8-[4-[2-(2-Isoquinolin-8-ylphenoxy)ethyl]phenyl]isoquinoline
CID 162644445
4-[[2-(2-Phenylethyl)phenoxy]methyl]pyridine
CID 24808152
6-Phenyl-7-(pyridin-3-ylmethoxy)isoquinoline
CID 42618161
6-Phenyl-7-(pyridin-4-ylmethoxy)isoquinoline
CID 42618162
4-[2-(4-Benzylphenoxy)ethyl]pyridine
CID 44818625
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136

Frequently Asked Questions

What is the IUPAC name of 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine?
The IUPAC name of 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine (CID 102423315) is 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine.
What is the SMILES notation for 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine?
The canonical SMILES for 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine is CCCOc1c2cccc1Cc1cc(-c3ccncc3)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(-c3ccncc3)cc(c1OCCC)C2.
What is the InChIKey of 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine?
The InChIKey is FEOUDBHAOKSXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N2O4/c1-5-23-53-47-37-11-9-12-38(47)28-44-32-42(36-17-21-52-22-18-36)34-46(50(44)56-26-8-4)30-40-14-10-13-39(48(40)54-24-6-2)29-45-33-41(35-15-19-51-20-16-35)31-43(27-37)49(45)55-25-7-3/h9-22,31-34H,5-8,23-30H2,1-4H3.
What are the key properties of 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine?
4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine has a molecular weight of 746.99 g/mol, XLogP of 11.64, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(25,26,27,28-tetrapropoxy-17-pyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl)pyridine is sourced from PubChem (CID 102423315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).