25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene

C28H40N8 — CID 5247615

IUPAC25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene
SMILESCC1(C)C2=NN=C1CCC1=NN=C(CCC3=NN=C(CCC4=NN=C(CC2)C4(C)C)C3(C)C)C1(C)C
InChIInChI=1S/C28H40N8/c1-25(2)17-9-11-19-26(3,4)21(33-31-19)13-15-23-28(7,8)24(36-35-23)16-14-22-27(5,6)20(32-34-22)12-10-18(25)30-29-17/h9-16H2,1-8H3
InChIKeyZTGUYVIIRMCNEI-UHFFFAOYSA-N
MW488.68 g/mol
LogP6.47
Rot. Bonds

About 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene

25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene (PubChem CID 5247615) has the molecular formula C28H40N8 and a molecular weight of 488.68 g/mol. Its IUPAC name is 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene.

Molecular Properties

Compound Name25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene
PubChem CID5247615
Molecular FormulaC28H40N8
Molecular Weight488.68 g/mol
Exact Mass488.34
IUPAC Name25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene
SMILESCC1(C)C2=NN=C1CCC1=NN=C(CCC3=NN=C(CCC4=NN=C(CC2)C4(C)C)C3(C)C)C1(C)C
InChIInChI=1S/C28H40N8/c1-25(2)17-9-11-19-26(3,4)21(33-31-19)13-15-23-28(7,8)24(36-35-23)16-14-22-27(5,6)20(32-34-22)12-10-18(25)30-29-17/h9-16H2,1-8H3
InChIKeyZTGUYVIIRMCNEI-UHFFFAOYSA-N
XLogP6.47
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene?
The IUPAC name of 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene (CID 5247615) is 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene.
What is the SMILES notation for 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene?
The canonical SMILES for 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene is CC1(C)C2=NN=C1CCC1=NN=C(CCC3=NN=C(CCC4=NN=C(CC2)C4(C)C)C3(C)C)C1(C)C.
What is the InChIKey of 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene?
The InChIKey is ZTGUYVIIRMCNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N8/c1-25(2)17-9-11-19-26(3,4)21(33-31-19)13-15-23-28(7,8)24(36-35-23)16-14-22-27(5,6)20(32-34-22)12-10-18(25)30-29-17/h9-16H2,1-8H3.
What are the key properties of 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene?
25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene has a molecular weight of 488.68 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25,26,26,27,27,28,28-octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene is sourced from PubChem (CID 5247615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).