[1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate

C66H68O4 — CID 139504091

IUPAC[1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate
SMILESCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc5c(c4-c4c(OC(=O)c6ccc(-c7ccc(C8CCC(CCCC)CC8)cc7)cc6)ccc6ccccc46)C=CCC5)cc3)cc2)CC1
InChIInChI=1S/C66H68O4/c1-3-5-11-45-17-21-47(22-18-45)49-25-29-51(30-26-49)53-33-37-57(38-34-53)65(67)69-61-43-41-55-13-7-9-15-59(55)63(61)64-60-16-10-8-14-56(60)42-44-62(64)70-66(68)58-39-35-54(36-40-58)52-31-27-50(28-32-52)48-23-19-46(20-24-48)12-6-4-2/h7,9-10,13,15-16,25-48H,3-6,8,11-12,14,17-24H2,1-2H3
InChIKeyVJLNTGLKARTTPI-UHFFFAOYSA-N
MW925.27 g/mol
LogP18.17
Rot. Bonds15

About [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate

[1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate (PubChem CID 139504091) has the molecular formula C66H68O4 and a molecular weight of 925.27 g/mol. Its IUPAC name is [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate.

Molecular Properties

Compound Name[1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate
PubChem CID139504091
Molecular FormulaC66H68O4
Molecular Weight925.27 g/mol
Exact Mass924.51
IUPAC Name[1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate
SMILESCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc5c(c4-c4c(OC(=O)c6ccc(-c7ccc(C8CCC(CCCC)CC8)cc7)cc6)ccc6ccccc46)C=CCC5)cc3)cc2)CC1
InChIInChI=1S/C66H68O4/c1-3-5-11-45-17-21-47(22-18-45)49-25-29-51(30-26-49)53-33-37-57(38-34-53)65(67)69-61-43-41-55-13-7-9-15-59(55)63(61)64-60-16-10-8-14-56(60)42-44-62(64)70-66(68)58-39-35-54(36-40-58)52-31-27-50(28-32-52)48-23-19-46(20-24-48)12-6-4-2/h7,9-10,13,15-16,25-48H,3-6,8,11-12,14,17-24H2,1-2H3
InChIKeyVJLNTGLKARTTPI-UHFFFAOYSA-N
XLogP18.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.27
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate with MolForge

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Related Compounds

(2,6-difluoro-3-pyridinyl) 4-(4-butylcyclohexyl)benzoate
CID 19765607
(4-methylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 23334784
[4-(methylcarbamoyl)phenyl] 4-[4-(4-pentylcyclohexyl)phenyl]benzoate
CID 67687340
(4-cyano-2,3-difluorophenyl) 4-(4-butylcyclohexyl)benzoate
CID 19103692
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
[4-(4-octylcyclohexyl)phenyl] 4-butylbenzoate
CID 23334690
2-[(4-pentylcyclohexyl)methoxy]-1-[2-[(4-pentylcyclohexyl)methoxy]naphthalen-1-yl]naphthalene;2-[[4-(4-propylcyclohexyl)phenyl]methoxy]-1-[2-[[4-(4-propylcyclohexyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 158260149
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
pyridin-3-yl 4-(4-pentylcyclohexyl)benzoate
CID 4518749
(4-prop-1-en-2-ylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 142331705
(4-sulfanylphenyl) 4-(4-hexylcyclohexyl)benzoate
CID 173376277
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate?
The IUPAC name of [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate (CID 139504091) is [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate.
What is the SMILES notation for [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate?
The canonical SMILES for [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate is CCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc5c(c4-c4c(OC(=O)c6ccc(-c7ccc(C8CCC(CCCC)CC8)cc7)cc6)ccc6ccccc46)C=CCC5)cc3)cc2)CC1.
What is the InChIKey of [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate?
The InChIKey is VJLNTGLKARTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H68O4/c1-3-5-11-45-17-21-47(22-18-45)49-25-29-51(30-26-49)53-33-37-57(38-34-53)65(67)69-61-43-41-55-13-7-9-15-59(55)63(61)64-60-16-10-8-14-56(60)42-44-62(64)70-66(68)58-39-35-54(36-40-58)52-31-27-50(28-32-52)48-23-19-46(20-24-48)12-6-4-2/h7,9-10,13,15-16,25-48H,3-6,8,11-12,14,17-24H2,1-2H3.
What are the key properties of [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate?
[1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate has a molecular weight of 925.27 g/mol, XLogP of 18.17, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-[4-(4-butylcyclohexyl)phenyl]benzoyl]oxynaphthalen-1-yl]-5,6-dihydronaphthalen-2-yl] 4-[4-(4-butylcyclohexyl)phenyl]benzoate is sourced from PubChem (CID 139504091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).