5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine

C66H56N6O4 — CID 134689911

IUPAC5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
SMILESC=CCCOc1ccc(Oc2ccc(-c3ccc(-c4ccc(CCc5ccc(-c6ccc(CCc7ccc(-c8ccc(-c9ccc(Oc%10ccc(OCCC=C)cc%10)cc9)cn8)nc7)cn6)nc5)cn4)nc3)cc2)cc1
InChIInChI=1S/C66H56N6O4/c1-3-5-39-73-55-25-29-59(30-26-55)75-57-21-15-51(16-22-57)53-19-37-65(71-45-53)63-35-13-49(43-69-63)9-7-47-11-33-61(67-41-47)62-34-12-48(42-68-62)8-10-50-14-36-64(70-44-50)66-38-20-54(46-72-66)52-17-23-58(24-18-52)76-60-31-27-56(28-32-60)74-40-6-4-2/h3-4,11-38,41-46H,1-2,5-10,39-40H2
InChIKeyPMVAKKCMMLCMBJ-UHFFFAOYSA-N
MW997.21 g/mol
LogP15.46
Rot. Bonds23

About 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine

5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine (PubChem CID 134689911) has the molecular formula C66H56N6O4 and a molecular weight of 997.21 g/mol. Its IUPAC name is 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
PubChem CID134689911
Molecular FormulaC66H56N6O4
Molecular Weight997.21 g/mol
Exact Mass996.44
IUPAC Name5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
SMILESC=CCCOc1ccc(Oc2ccc(-c3ccc(-c4ccc(CCc5ccc(-c6ccc(CCc7ccc(-c8ccc(-c9ccc(Oc%10ccc(OCCC=C)cc%10)cc9)cn8)nc7)cn6)nc5)cn4)nc3)cc2)cc1
InChIInChI=1S/C66H56N6O4/c1-3-5-39-73-55-25-29-59(30-26-55)75-57-21-15-51(16-22-57)53-19-37-65(71-45-53)63-35-13-49(43-69-63)9-7-47-11-33-61(67-41-47)62-34-12-48(42-68-62)8-10-50-14-36-64(70-44-50)66-38-20-54(46-72-66)52-17-23-58(24-18-52)76-60-31-27-56(28-32-60)74-40-6-4-2/h3-4,11-38,41-46H,1-2,5-10,39-40H2
InChIKeyPMVAKKCMMLCMBJ-UHFFFAOYSA-N
XLogP15.46
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.21
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine
CID 25198629
2,4-dipyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377306
N,N-bis(pyridin-2-ylmethyl)-1-[17-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-4-yl]methanamine
CID 155559938
Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368990
4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377304
2-pyridin-2-yl-4-pyridin-3-yl-5H-chromeno[4,3-b]pyridine
CID 53377305
2,2-difluoro-6,10-dimethyl-8-[4-[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]-4,12-bis[(E)-2-[4-[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]ethenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene triiodide
CID 155538060
1-Hexanol, 6-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368991
5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 57345624
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine (CID 134689911) is 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine is C=CCCOc1ccc(Oc2ccc(-c3ccc(-c4ccc(CCc5ccc(-c6ccc(CCc7ccc(-c8ccc(-c9ccc(Oc%10ccc(OCCC=C)cc%10)cc9)cn8)nc7)cn6)nc5)cn4)nc3)cc2)cc1.
What is the InChIKey of 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
The InChIKey is PMVAKKCMMLCMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56N6O4/c1-3-5-39-73-55-25-29-59(30-26-55)75-57-21-15-51(16-22-57)53-19-37-65(71-45-53)63-35-13-49(43-69-63)9-7-47-11-33-61(67-41-47)62-34-12-48(42-68-62)8-10-50-14-36-64(70-44-50)66-38-20-54(46-72-66)52-17-23-58(24-18-52)76-60-31-27-56(28-32-60)74-40-6-4-2/h3-4,11-38,41-46H,1-2,5-10,39-40H2.
What are the key properties of 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine?
5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine has a molecular weight of 997.21 g/mol, XLogP of 15.46, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-[5-[2-[6-[5-[2-[6-[5-[4-(4-but-3-enoxyphenoxy)phenyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 134689911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).