[6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate

C100H122O6 — CID 152978860

IUPAC[6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate
SMILESCCCc1ccc2cc(OCCCCCCCCCCCC(=O)Oc3ccc4cc(-c5ccc(C6CCC(CCC)CC6)cc5)ccc4c3-c3c(OC(=O)CCCCCCCCCCCOc4ccc5cc(CCC)ccc5c4)ccc4cc(-c5ccc(C6CCC(CCC)CC6)cc5)ccc34)ccc2c1
InChIInChI=1S/C100H122O6/c1-5-27-73-33-39-77(40-34-73)79-45-49-81(50-46-79)85-55-61-93-89(69-85)57-63-95(105-97(101)31-23-19-15-11-9-13-17-21-25-65-103-91-59-53-83-67-75(29-7-3)37-43-87(83)71-91)99(93)100-94-62-56-86(82-51-47-80(48-52-82)78-41-35-74(28-6-2)36-42-78)70-90(94)58-64-96(100)106-98(102)32-24-20-16-12-10-14-18-22-26-66-104-92-60-54-84-68-76(30-8-4)38-44-88(84)72-92/h37-38,43-64,67-74,77-78H,5-36,39-42,65-66H2,1-4H3
InChIKeyUTYVKLKVSYWCOL-UHFFFAOYSA-N
MW1420.07 g/mol
LogP29.12
Rot. Bonds41

About [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate

[6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate (PubChem CID 152978860) has the molecular formula C100H122O6 and a molecular weight of 1420.07 g/mol. Its IUPAC name is [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate.

Molecular Properties

Compound Name[6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate
PubChem CID152978860
Molecular FormulaC100H122O6
Molecular Weight1420.07 g/mol
Exact Mass1418.92
IUPAC Name[6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate
SMILESCCCc1ccc2cc(OCCCCCCCCCCCC(=O)Oc3ccc4cc(-c5ccc(C6CCC(CCC)CC6)cc5)ccc4c3-c3c(OC(=O)CCCCCCCCCCCOc4ccc5cc(CCC)ccc5c4)ccc4cc(-c5ccc(C6CCC(CCC)CC6)cc5)ccc34)ccc2c1
InChIInChI=1S/C100H122O6/c1-5-27-73-33-39-77(40-34-73)79-45-49-81(50-46-79)85-55-61-93-89(69-85)57-63-95(105-97(101)31-23-19-15-11-9-13-17-21-25-65-103-91-59-53-83-67-75(29-7-3)37-43-87(83)71-91)99(93)100-94-62-56-86(82-51-47-80(48-52-82)78-41-35-74(28-6-2)36-42-78)70-90(94)58-64-96(100)106-98(102)32-24-20-16-12-10-14-18-22-26-66-104-92-60-54-84-68-76(30-8-4)38-44-88(84)72-92/h37-38,43-64,67-74,77-78H,5-36,39-42,65-66H2,1-4H3
InChIKeyUTYVKLKVSYWCOL-UHFFFAOYSA-N
XLogP29.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds41
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001420.07
LogP ≤ 529.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate with MolForge

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Related Compounds

[4-(4-cyanophenyl)phenyl] 6-[4-(4-propylcyclohexyl)phenyl]hexanoate
CID 121343175
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
1-O-ethyl 4-O-[6-[4-(4-propylcyclohexyl)phenoxy]hexyl] butanedioate
CID 58027851
[6-(4-heptylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500391
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
[4-(4-propylcyclohexyl)phenyl] 3-[4-(3-prop-2-enoyloxypropoxy)phenyl]propanoate
CID 118100050
[di(pentanoyloxy)-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silyl] pentanoate
CID 18608443

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate?
The IUPAC name of [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate (CID 152978860) is [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate.
What is the SMILES notation for [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate?
The canonical SMILES for [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate is CCCc1ccc2cc(OCCCCCCCCCCCC(=O)Oc3ccc4cc(-c5ccc(C6CCC(CCC)CC6)cc5)ccc4c3-c3c(OC(=O)CCCCCCCCCCCOc4ccc5cc(CCC)ccc5c4)ccc4cc(-c5ccc(C6CCC(CCC)CC6)cc5)ccc34)ccc2c1.
What is the InChIKey of [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate?
The InChIKey is UTYVKLKVSYWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H122O6/c1-5-27-73-33-39-77(40-34-73)79-45-49-81(50-46-79)85-55-61-93-89(69-85)57-63-95(105-97(101)31-23-19-15-11-9-13-17-21-25-65-103-91-59-53-83-67-75(29-7-3)37-43-87(83)71-91)99(93)100-94-62-56-86(82-51-47-80(48-52-82)78-41-35-74(28-6-2)36-42-78)70-90(94)58-64-96(100)106-98(102)32-24-20-16-12-10-14-18-22-26-66-104-92-60-54-84-68-76(30-8-4)38-44-88(84)72-92/h37-38,43-64,67-74,77-78H,5-36,39-42,65-66H2,1-4H3.
What are the key properties of [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate?
[6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate has a molecular weight of 1420.07 g/mol, XLogP of 29.12, 41 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-propylcyclohexyl)phenyl]-1-[6-[4-(4-propylcyclohexyl)phenyl]-2-[12-(6-propylnaphthalen-2-yl)oxydodecanoyloxy]naphthalen-1-yl]naphthalen-2-yl] 12-(6-propylnaphthalen-2-yl)oxydodecanoate is sourced from PubChem (CID 152978860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).