2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene

C30H30N10 — CID 23631126

IUPAC2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2
InChIInChI=1S/C30H30N10/c1-36-21-11-6-13-23(31-21)37(2)25-15-8-17-27(33-25)39(4)29-19-10-20-30(35-29)40(5)28-18-9-16-26(34-28)38(3)24-14-7-12-22(36)32-24/h6-20H,1-5H3
InChIKeyFSHXSGGGTXENDD-UHFFFAOYSA-N
MW530.64 g/mol
LogP5.81
Rot. Bonds

About 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene

2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene (PubChem CID 23631126) has the molecular formula C30H30N10 and a molecular weight of 530.64 g/mol. Its IUPAC name is 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene.

Molecular Properties

Compound Name2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene
PubChem CID23631126
Molecular FormulaC30H30N10
Molecular Weight530.64 g/mol
Exact Mass530.27
IUPAC Name2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2
InChIInChI=1S/C30H30N10/c1-36-21-11-6-13-23(31-21)37(2)25-15-8-17-27(33-25)39(4)29-19-10-20-30(35-29)40(5)28-18-9-16-26(34-28)38(3)24-14-7-12-22(36)32-24/h6-20H,1-5H3
InChIKeyFSHXSGGGTXENDD-UHFFFAOYSA-N
XLogP5.81
TPSA80.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.64
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene?
The IUPAC name of 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene (CID 23631126) is 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene.
What is the SMILES notation for 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene?
The canonical SMILES for 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene is CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2.
What is the InChIKey of 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene?
The InChIKey is FSHXSGGGTXENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N10/c1-36-21-11-6-13-23(31-21)37(2)25-15-8-17-27(33-25)39(4)29-19-10-20-30(35-29)40(5)28-18-9-16-26(34-28)38(3)24-14-7-12-22(36)32-24/h6-20H,1-5H3.
What are the key properties of 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene?
2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene has a molecular weight of 530.64 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20,26-pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene is sourced from PubChem (CID 23631126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).