5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine

C112H128N6O8 — CID 44552573

IUPAC5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine
SMILESC=CCCCCCCOc1ccc(OCCCc2ccc(-c3ccc(CCCOc4ccc(C5(c6ccc(OCCCc7ccc(-c8ccc(CCCOc9ccc(C%10(c%11ccc(OCCCc%12ccc(-c%13ccc(CCCOc%14ccc(OCCCCCCC=C)cc%14)cn%13)nc%12)cc%11)CCCCC%10)cc9)cn8)nc7)cc6)CCCCC5)cc4)cn3)nc2)cc1
InChIInChI=1S/C112H128N6O8/c1-3-5-7-9-11-19-73-119-101-55-59-103(60-56-101)125-79-25-31-91-37-67-109(117-85-91)107-65-35-89(83-115-107)29-23-77-123-99-51-43-95(44-52-99)111(69-15-13-16-70-111)93-39-47-97(48-40-93)121-75-21-27-87-33-63-105(113-81-87)106-64-34-88(82-114-106)28-22-76-122-98-49-41-94(42-50-98)112(71-17-14-18-72-112)96-45-53-100(54-46-96)124-78-24-30-90-36-66-108(116-84-90)110-68-38-92(86-118-110)32-26-80-126-104-61-57-102(58-62-104)120-74-20-12-10-8-6-4-2/h3-4,33-68,81-86H,1-2,5-32,69-80H2
InChIKeyFLKSLEJYFQMXPX-UHFFFAOYSA-N
MW1686.29 g/mol
LogP26.66
Rot. Bonds53

About 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine

5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine (PubChem CID 44552573) has the molecular formula C112H128N6O8 and a molecular weight of 1686.29 g/mol. Its IUPAC name is 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine
PubChem CID44552573
Molecular FormulaC112H128N6O8
Molecular Weight1686.29 g/mol
Exact Mass1684.98
IUPAC Name5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine
SMILESC=CCCCCCCOc1ccc(OCCCc2ccc(-c3ccc(CCCOc4ccc(C5(c6ccc(OCCCc7ccc(-c8ccc(CCCOc9ccc(C%10(c%11ccc(OCCCc%12ccc(-c%13ccc(CCCOc%14ccc(OCCCCCCC=C)cc%14)cn%13)nc%12)cc%11)CCCCC%10)cc9)cn8)nc7)cc6)CCCCC5)cc4)cn3)nc2)cc1
InChIInChI=1S/C112H128N6O8/c1-3-5-7-9-11-19-73-119-101-55-59-103(60-56-101)125-79-25-31-91-37-67-109(117-85-91)107-65-35-89(83-115-107)29-23-77-123-99-51-43-95(44-52-99)111(69-15-13-16-70-111)93-39-47-97(48-40-93)121-75-21-27-87-33-63-105(113-81-87)106-64-34-88(82-114-106)28-22-76-122-98-49-41-94(42-50-98)112(71-17-14-18-72-112)96-45-53-100(54-46-96)124-78-24-30-90-36-66-108(116-84-90)110-68-38-92(86-118-110)32-26-80-126-104-61-57-102(58-62-104)120-74-20-12-10-8-6-4-2/h3-4,33-68,81-86H,1-2,5-32,69-80H2
InChIKeyFLKSLEJYFQMXPX-UHFFFAOYSA-N
XLogP26.66
TPSA151.18 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds53
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.29
LogP ≤ 526.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-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
Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368990
2-pyridin-2-yl-4-pyridin-3-yl-5H-chromeno[4,3-b]pyridine
CID 53377305
1-Hexanol, 6-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368991
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883
3-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-5-phenyl-6-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341899
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
2-(2,3,4,5,6-Pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
CID 162398337
2-[4-[1-[[4-[Tris[4-[[4-[4-(2-aminoethoxy)phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]phenoxy]ethanamine tetrachloride
CID 177650179

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine (CID 44552573) is 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine is C=CCCCCCCOc1ccc(OCCCc2ccc(-c3ccc(CCCOc4ccc(C5(c6ccc(OCCCc7ccc(-c8ccc(CCCOc9ccc(C%10(c%11ccc(OCCCc%12ccc(-c%13ccc(CCCOc%14ccc(OCCCCCCC=C)cc%14)cn%13)nc%12)cc%11)CCCCC%10)cc9)cn8)nc7)cc6)CCCCC5)cc4)cn3)nc2)cc1.
What is the InChIKey of 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine?
The InChIKey is FLKSLEJYFQMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H128N6O8/c1-3-5-7-9-11-19-73-119-101-55-59-103(60-56-101)125-79-25-31-91-37-67-109(117-85-91)107-65-35-89(83-115-107)29-23-77-123-99-51-43-95(44-52-99)111(69-15-13-16-70-111)93-39-47-97(48-40-93)121-75-21-27-87-33-63-105(113-81-87)106-64-34-88(82-114-106)28-22-76-122-98-49-41-94(42-50-98)112(71-17-14-18-72-112)96-45-53-100(54-46-96)124-78-24-30-90-36-66-108(116-84-90)110-68-38-92(86-118-110)32-26-80-126-104-61-57-102(58-62-104)120-74-20-12-10-8-6-4-2/h3-4,33-68,81-86H,1-2,5-32,69-80H2.
What are the key properties of 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine?
5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine has a molecular weight of 1686.29 g/mol, XLogP of 26.66, 53 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-(4-oct-7-enoxyphenoxy)propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 44552573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).