9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

C66H108 — CID 140562346

IUPAC9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESC(=C(C1CCCCC1)C1CCCCC1)C1CCC(C2C3CCCCC3C(C3C4CCCCC4C(C4CCC(C5CCCCC5)C(C5CCCCC5)C4)C4CCCCC43)C3CCCCC32)CC1
InChIInChI=1S/C66H108/c1-5-21-46(22-6-1)52-42-41-51(44-62(52)49-27-11-4-12-28-49)64-55-31-15-19-35-59(55)66(60-36-20-16-32-56(60)64)65-57-33-17-13-29-53(57)63(54-30-14-18-34-58(54)65)50-39-37-45(38-40-50)43-61(47-23-7-2-8-24-47)48-25-9-3-10-26-48/h43,45-60,62-66H,1-42,44H2
InChIKeyHWJJIRDLVSPTMS-UHFFFAOYSA-N
MW901.59 g/mol
LogP19.79
Rot. Bonds8

About 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (PubChem CID 140562346) has the molecular formula C66H108 and a molecular weight of 901.59 g/mol. Its IUPAC name is 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.

Molecular Properties

Compound Name9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
PubChem CID140562346
Molecular FormulaC66H108
Molecular Weight901.59 g/mol
Exact Mass900.85
IUPAC Name9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
SMILESC(=C(C1CCCCC1)C1CCCCC1)C1CCC(C2C3CCCCC3C(C3C4CCCCC4C(C4CCC(C5CCCCC5)C(C5CCCCC5)C4)C4CCCCC43)C3CCCCC32)CC1
InChIInChI=1S/C66H108/c1-5-21-46(22-6-1)52-42-41-51(44-62(52)49-27-11-4-12-28-49)64-55-31-15-19-35-59(55)66(60-36-20-16-32-56(60)64)65-57-33-17-13-29-53(57)63(54-30-14-18-34-58(54)65)50-39-37-45(38-40-50)43-61(47-23-7-2-8-24-47)48-25-9-3-10-26-48/h43,45-60,62-66H,1-42,44H2
InChIKeyHWJJIRDLVSPTMS-UHFFFAOYSA-N
XLogP19.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.59
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The IUPAC name of 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene (CID 140562346) is 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene.
What is the SMILES notation for 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The canonical SMILES for 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is C(=C(C1CCCCC1)C1CCCCC1)C1CCC(C2C3CCCCC3C(C3C4CCCCC4C(C4CCC(C5CCCCC5)C(C5CCCCC5)C4)C4CCCCC43)C3CCCCC32)CC1.
What is the InChIKey of 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
The InChIKey is HWJJIRDLVSPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H108/c1-5-21-46(22-6-1)52-42-41-51(44-62(52)49-27-11-4-12-28-49)64-55-31-15-19-35-59(55)66(60-36-20-16-32-56(60)64)65-57-33-17-13-29-53(57)63(54-30-14-18-34-58(54)65)50-39-37-45(38-40-50)43-61(47-23-7-2-8-24-47)48-25-9-3-10-26-48/h43,45-60,62-66H,1-42,44H2.
What are the key properties of 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene?
9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene has a molecular weight of 901.59 g/mol, XLogP of 19.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dicyclohexylcyclohexyl)-10-[10-[4-(2,2-dicyclohexylethenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene is sourced from PubChem (CID 140562346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).