2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene

C58H70O2 — CID 102313483

IUPAC2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene
SMILESCCCCCC1CCC(c2ccc(-c3cc(OCC)c(-c4c(OCC)cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)c5ccccc45)c4ccccc34)cc2)CC1
InChIInChI=1S/C58H70O2/c1-5-9-11-17-41-23-27-43(28-24-41)45-31-35-47(36-32-45)53-39-55(59-7-3)57(51-21-15-13-19-49(51)53)58-52-22-16-14-20-50(52)54(40-56(58)60-8-4)48-37-33-46(34-38-48)44-29-25-42(26-30-44)18-12-10-6-2/h13-16,19-22,31-44H,5-12,17-18,23-30H2,1-4H3
InChIKeyNFXASPWZTXACEG-UHFFFAOYSA-N
MW799.20 g/mol
LogP17.50
Rot. Bonds17

About 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene

2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene (PubChem CID 102313483) has the molecular formula C58H70O2 and a molecular weight of 799.20 g/mol. Its IUPAC name is 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene
PubChem CID102313483
Molecular FormulaC58H70O2
Molecular Weight799.20 g/mol
Exact Mass798.54
IUPAC Name2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene
SMILESCCCCCC1CCC(c2ccc(-c3cc(OCC)c(-c4c(OCC)cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)c5ccccc45)c4ccccc34)cc2)CC1
InChIInChI=1S/C58H70O2/c1-5-9-11-17-41-23-27-43(28-24-41)45-31-35-47(36-32-45)53-39-55(59-7-3)57(51-21-15-13-19-49(51)53)58-52-22-16-14-20-50(52)54(40-56(58)60-8-4)48-37-33-46(34-38-48)44-29-25-42(26-30-44)18-12-10-6-2/h13-16,19-22,31-44H,5-12,17-18,23-30H2,1-4H3
InChIKeyNFXASPWZTXACEG-UHFFFAOYSA-N
XLogP17.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.20
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 101395172
1-chloro-2-[4-(4-dodecylcyclohexyl)phenyl]benzene
CID 139911109
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene?
The IUPAC name of 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene (CID 102313483) is 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene.
What is the SMILES notation for 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene?
The canonical SMILES for 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene is CCCCCC1CCC(c2ccc(-c3cc(OCC)c(-c4c(OCC)cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)c5ccccc45)c4ccccc34)cc2)CC1.
What is the InChIKey of 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene?
The InChIKey is NFXASPWZTXACEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H70O2/c1-5-9-11-17-41-23-27-43(28-24-41)45-31-35-47(36-32-45)53-39-55(59-7-3)57(51-21-15-13-19-49(51)53)58-52-22-16-14-20-50(52)54(40-56(58)60-8-4)48-37-33-46(34-38-48)44-29-25-42(26-30-44)18-12-10-6-2/h13-16,19-22,31-44H,5-12,17-18,23-30H2,1-4H3.
What are the key properties of 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene?
2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene has a molecular weight of 799.20 g/mol, XLogP of 17.50, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene is sourced from PubChem (CID 102313483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).