14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene

C64H78O2 — CID 135351713

IUPAC14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
SMILESCCCCCC1CCC(C2COc3ccc4ccc(-c5ccc(C6CCC(CCC)CC6)cc5)cc4c3-c3c(ccc4ccc(-c5ccc(C6CCC(CCC)CC6)cc5)cc34)OC2)CC1
InChIInChI=1S/C64H78O2/c1-4-7-8-11-46-16-22-53(23-17-46)58-42-65-61-38-36-54-32-34-56(51-28-24-49(25-29-51)47-18-12-44(9-5-2)13-19-47)40-59(54)63(61)64-60-41-57(35-33-55(60)37-39-62(64)66-43-58)52-30-26-50(27-31-52)48-20-14-45(10-6-3)15-21-48/h24-41,44-48,53,58H,4-23,42-43H2,1-3H3
InChIKeyZGSJAHRPRDESMC-UHFFFAOYSA-N
MW879.33 g/mol
LogP18.92
Rot. Bonds13

About 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene

14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene (PubChem CID 135351713) has the molecular formula C64H78O2 and a molecular weight of 879.33 g/mol. Its IUPAC name is 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene.

Molecular Properties

Compound Name14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
PubChem CID135351713
Molecular FormulaC64H78O2
Molecular Weight879.33 g/mol
Exact Mass878.60
IUPAC Name14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
SMILESCCCCCC1CCC(C2COc3ccc4ccc(-c5ccc(C6CCC(CCC)CC6)cc5)cc4c3-c3c(ccc4ccc(-c5ccc(C6CCC(CCC)CC6)cc5)cc34)OC2)CC1
InChIInChI=1S/C64H78O2/c1-4-7-8-11-46-16-22-53(23-17-46)58-42-65-61-38-36-54-32-34-56(51-28-24-49(25-29-51)47-18-12-44(9-5-2)13-19-47)40-59(54)63(61)64-60-41-57(35-33-55(60)37-39-62(64)66-43-58)52-30-26-50(27-31-52)48-20-14-45(10-6-3)15-21-48/h24-41,44-48,53,58H,4-23,42-43H2,1-3H3
InChIKeyZGSJAHRPRDESMC-UHFFFAOYSA-N
XLogP18.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.33
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
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-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
5,21-bis[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 140923388
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
CID 162014078
2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 19008131
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068

Frequently Asked Questions

What is the IUPAC name of 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?
The IUPAC name of 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene (CID 135351713) is 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene.
What is the SMILES notation for 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?
The canonical SMILES for 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene is CCCCCC1CCC(C2COc3ccc4ccc(-c5ccc(C6CCC(CCC)CC6)cc5)cc4c3-c3c(ccc4ccc(-c5ccc(C6CCC(CCC)CC6)cc5)cc34)OC2)CC1.
What is the InChIKey of 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?
The InChIKey is ZGSJAHRPRDESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H78O2/c1-4-7-8-11-46-16-22-53(23-17-46)58-42-65-61-38-36-54-32-34-56(51-28-24-49(25-29-51)47-18-12-44(9-5-2)13-19-47)40-59(54)63(61)64-60-41-57(35-33-55(60)37-39-62(64)66-43-58)52-30-26-50(27-31-52)48-20-14-45(10-6-3)15-21-48/h24-41,44-48,53,58H,4-23,42-43H2,1-3H3.
What are the key properties of 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?
14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene has a molecular weight of 879.33 g/mol, XLogP of 18.92, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene is sourced from PubChem (CID 135351713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).