5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene

C66H56 — CID 132969807

IUPAC5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
SMILESCc1cc(C)c(-c2c3c4cc5c(-c6c(C)cc(C)cc6C)c6ccccc6c5cc4c(-c4c(C)cc(C)cc4C)c=3c3cc4c(-c5c(C)cc(C)cc5C)c5ccccc5c4cc23)c(C)c1
InChIInChI=1S/C66H56/c1-33-21-37(5)57(38(6)22-33)61-47-19-15-13-17-45(47)49-29-53-55(31-51(49)61)65-64(60-43(11)27-36(4)28-44(60)12)54-30-50-46-18-14-16-20-48(46)62(58-39(7)23-34(2)24-40(58)8)52(50)32-56(54)66(65)63(53)59-41(9)25-35(3)26-42(59)10/h13-32H,1-12H3
InChIKeyIWKFGPZOQMPVNN-UHFFFAOYSA-N
MW849.17 g/mol
LogP18.58
Rot. Bonds4

About 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene

5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene (PubChem CID 132969807) has the molecular formula C66H56 and a molecular weight of 849.17 g/mol. Its IUPAC name is 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
PubChem CID132969807
Molecular FormulaC66H56
Molecular Weight849.17 g/mol
Exact Mass848.44
IUPAC Name5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
SMILESCc1cc(C)c(-c2c3c4cc5c(-c6c(C)cc(C)cc6C)c6ccccc6c5cc4c(-c4c(C)cc(C)cc4C)c=3c3cc4c(-c5c(C)cc(C)cc5C)c5ccccc5c4cc23)c(C)c1
InChIInChI=1S/C66H56/c1-33-21-37(5)57(38(6)22-33)61-47-19-15-13-17-45(47)49-29-53-55(31-51(49)61)65-64(60-43(11)27-36(4)28-44(60)12)54-30-50-46-18-14-16-20-48(46)62(58-39(7)23-34(2)24-40(58)8)52(50)32-56(54)66(65)63(53)59-41(9)25-35(3)26-42(59)10/h13-32H,1-12H3
InChIKeyIWKFGPZOQMPVNN-UHFFFAOYSA-N
XLogP18.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.17
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene?
The IUPAC name of 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene (CID 132969807) is 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene.
What is the SMILES notation for 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene?
The canonical SMILES for 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene is Cc1cc(C)c(-c2c3c4cc5c(-c6c(C)cc(C)cc6C)c6ccccc6c5cc4c(-c4c(C)cc(C)cc4C)c=3c3cc4c(-c5c(C)cc(C)cc5C)c5ccccc5c4cc23)c(C)c1.
What is the InChIKey of 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene?
The InChIKey is IWKFGPZOQMPVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56/c1-33-21-37(5)57(38(6)22-33)61-47-19-15-13-17-45(47)49-29-53-55(31-51(49)61)65-64(60-43(11)27-36(4)28-44(60)12)54-30-50-46-18-14-16-20-48(46)62(58-39(7)23-34(2)24-40(58)8)52(50)32-56(54)66(65)63(53)59-41(9)25-35(3)26-42(59)10/h13-32H,1-12H3.
What are the key properties of 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene?
5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene has a molecular weight of 849.17 g/mol, XLogP of 18.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 132969807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).