3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol

C84H92N6O6 — CID 44552575

IUPAC3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol
SMILESOCCCc1ccc(-c2ccc(CCCOc3ccc(C4(c5ccc(OCCCc6ccc(-c7ccc(CCCOc8ccc(C9(c%10ccc(OCCCc%11ccc(-c%12ccc(CCCO)cn%12)nc%11)cc%10)CCCCC9)cc8)cn7)nc6)cc5)CCCCC4)cc3)cn2)nc1
InChIInChI=1S/C84H92N6O6/c91-51-7-13-63-19-41-77(85-57-63)79-43-21-65(59-87-79)15-9-53-93-73-33-25-69(26-34-73)83(47-3-1-4-48-83)71-29-37-75(38-30-71)95-55-11-17-67-23-45-81(89-61-67)82-46-24-68(62-90-82)18-12-56-96-76-39-31-72(32-40-76)84(49-5-2-6-50-84)70-27-35-74(36-28-70)94-54-10-16-66-22-44-80(88-60-66)78-42-20-64(58-86-78)14-8-52-92/h19-46,57-62,91-92H,1-18,47-56H2
InChIKeyHAGPXVIHQNOLAV-UHFFFAOYSA-N
MW1281.70 g/mol
LogP17.45
Rot. Bonds33

About 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol

3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol (PubChem CID 44552575) has the molecular formula C84H92N6O6 and a molecular weight of 1281.70 g/mol. Its IUPAC name is 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol
PubChem CID44552575
Molecular FormulaC84H92N6O6
Molecular Weight1281.70 g/mol
Exact Mass1280.71
IUPAC Name3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol
SMILESOCCCc1ccc(-c2ccc(CCCOc3ccc(C4(c5ccc(OCCCc6ccc(-c7ccc(CCCOc8ccc(C9(c%10ccc(OCCCc%11ccc(-c%12ccc(CCCO)cn%12)nc%11)cc%10)CCCCC9)cc8)cn7)nc6)cc5)CCCCC4)cc3)cn2)nc1
InChIInChI=1S/C84H92N6O6/c91-51-7-13-63-19-41-77(85-57-63)79-43-21-65(59-87-79)15-9-53-93-73-33-25-69(26-34-73)83(47-3-1-4-48-83)71-29-37-75(38-30-71)95-55-11-17-67-23-45-81(89-61-67)82-46-24-68(62-90-82)18-12-56-96-76-39-31-72(32-40-76)84(49-5-2-6-50-84)70-27-35-74(36-28-70)94-54-10-16-66-22-44-80(88-60-66)78-42-20-64(58-86-78)14-8-52-92/h19-46,57-62,91-92H,1-18,47-56H2
InChIKeyHAGPXVIHQNOLAV-UHFFFAOYSA-N
XLogP17.45
TPSA154.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.70
LogP ≤ 517.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol with MolForge

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Launch Full Analysis

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
2-[2-[11,17,23-Tris[2-(diaminomethylideneamino)ethyl]-25,27-dihydroxy-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]-5-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-dodecaenyl]ethyl]guanidine
CID 45273300
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol (CID 44552575) is 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol is OCCCc1ccc(-c2ccc(CCCOc3ccc(C4(c5ccc(OCCCc6ccc(-c7ccc(CCCOc8ccc(C9(c%10ccc(OCCCc%11ccc(-c%12ccc(CCCO)cn%12)nc%11)cc%10)CCCCC9)cc8)cn7)nc6)cc5)CCCCC4)cc3)cn2)nc1.
What is the InChIKey of 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol?
The InChIKey is HAGPXVIHQNOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H92N6O6/c91-51-7-13-63-19-41-77(85-57-63)79-43-21-65(59-87-79)15-9-53-93-73-33-25-69(26-34-73)83(47-3-1-4-48-83)71-29-37-75(38-30-71)95-55-11-17-67-23-45-81(89-61-67)82-46-24-68(62-90-82)18-12-56-96-76-39-31-72(32-40-76)84(49-5-2-6-50-84)70-27-35-74(36-28-70)94-54-10-16-66-22-44-80(88-60-66)78-42-20-64(58-86-78)14-8-52-92/h19-46,57-62,91-92H,1-18,47-56H2.
What are the key properties of 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol?
3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol has a molecular weight of 1281.70 g/mol, XLogP of 17.45, 33 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-[3-[4-[1-[4-[3-[6-[5-[3-[4-[1-[4-[3-[6-[5-(3-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propoxy]phenyl]cyclohexyl]phenoxy]propyl]-2-pyridinyl]-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 44552575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).