4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene

C64H94 — CID 102435589

IUPAC4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
SMILESCCCCCCCCCCc1ccc2c(c1)c1c(CCCCCCCCCC)ccc3c4ccc(CCCCCCCCCC)cc4c4c(CCCCCCCCCC)ccc2c4c31
InChIInChI=1S/C64H94/c1-5-9-13-17-21-25-29-33-37-51-41-45-55-57-47-44-54(40-36-32-28-24-20-16-12-8-4)62-60-50-52(38-34-30-26-22-18-14-10-6-2)42-46-56(60)58-48-43-53(39-35-31-27-23-19-15-11-7-3)61(59(55)49-51)63(58)64(57)62/h41-50H,5-40H2,1-4H3
InChIKeyBHWUKKKWPQRNKV-UHFFFAOYSA-N
MW863.46 g/mol
LogP21.62
Rot. Bonds36

About 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene

4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene (PubChem CID 102435589) has the molecular formula C64H94 and a molecular weight of 863.46 g/mol. Its IUPAC name is 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene.

Molecular Properties

Compound Name4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
PubChem CID102435589
Molecular FormulaC64H94
Molecular Weight863.46 g/mol
Exact Mass862.74
IUPAC Name4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
SMILESCCCCCCCCCCc1ccc2c(c1)c1c(CCCCCCCCCC)ccc3c4ccc(CCCCCCCCCC)cc4c4c(CCCCCCCCCC)ccc2c4c31
InChIInChI=1S/C64H94/c1-5-9-13-17-21-25-29-33-37-51-41-45-55-57-47-44-54(40-36-32-28-24-20-16-12-8-4)62-60-50-52(38-34-30-26-22-18-14-10-6-2)42-46-56(60)58-48-43-53(39-35-31-27-23-19-15-11-7-3)61(59(55)49-51)63(58)64(57)62/h41-50H,5-40H2,1-4H3
InChIKeyBHWUKKKWPQRNKV-UHFFFAOYSA-N
XLogP21.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.46
LogP ≤ 521.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene 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

4,11,15,22-tetraheptylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
CID 132822294
4,11,15,22-tetrapentylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
CID 132822295
18,33-di(nonyl)dodecacyclo[24.16.0.02,7.03,40.06,11.08,25.09,22.010,15.016,21.029,42.030,35.036,41]dotetraconta-1(26),2,4,6,8(25),9(22),10,12,14,16(21),17,19,23,27,29(42),30(35),31,33,36,38,40-henicosaene
CID 177490465
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
4-decyl-6-octylnaphthalen-1-amine
CID 139692308
9,10-dibromo-2,6-didecylanthracene
CID 141357715
1,7-di(nonyl)naphthalene
CID 173372724
2-butyl-5-pentadecylphenol
CID 175271686
10,11,23,24,36,37-hexahexyl-4,17,30-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(39),2,5,7,9,11,13,15,18,20,22,24,26,28,31,33,35,37-octadecaene;9,10,11,22,23,24,35,36,37-nonahexyl-4,17,30-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(39),2,5,7,9,11,13,15,18,20,22,24,26,28,31,33,35,37-octadecaene;11,24,37-trihexyl-4,17,30-trithiadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1(39),2,5,7,9,11,13,15,18,20,22,24,26,28,31,33,35,37-octadecaene
CID 159810953
3-dodecyltridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-1(42),2,4,6,8(41),9,11,13,15(40),16,18,20,22(39),23,25,27,29(38),30,32,34,36,43,45,47-tetracosaene
CID 159324779
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
barium(2+);bis(4,6-di(tetradecyl)naphthalene-1-sulfonate)
CID 101319200

Frequently Asked Questions

What is the IUPAC name of 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene?
The IUPAC name of 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene (CID 102435589) is 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene.
What is the SMILES notation for 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene?
The canonical SMILES for 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene is CCCCCCCCCCc1ccc2c(c1)c1c(CCCCCCCCCC)ccc3c4ccc(CCCCCCCCCC)cc4c4c(CCCCCCCCCC)ccc2c4c31.
What is the InChIKey of 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene?
The InChIKey is BHWUKKKWPQRNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H94/c1-5-9-13-17-21-25-29-33-37-51-41-45-55-57-47-44-54(40-36-32-28-24-20-16-12-8-4)62-60-50-52(38-34-30-26-22-18-14-10-6-2)42-46-56(60)58-48-43-53(39-35-31-27-23-19-15-11-7-3)61(59(55)49-51)63(58)64(57)62/h41-50H,5-40H2,1-4H3.
What are the key properties of 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene?
4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene has a molecular weight of 863.46 g/mol, XLogP of 21.62, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene is sourced from PubChem (CID 102435589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).