24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene

C27H19N — CID 168810962

IUPAC24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
SMILESCn1ccc2c3c(ccc21)-c1ccccc1-c1ccccc1-c1ccccc1-3
InChIInChI=1S/C27H19N/c1-28-17-16-25-26(28)15-14-24-22-12-5-4-10-20(22)18-8-2-3-9-19(18)21-11-6-7-13-23(21)27(24)25/h2-17H,1H3/b20-18-,21-19-,24-22-,27-23+
InChIKeyFFBXGWJVVPUAIW-IPIAKPPJSA-N
MW357.46 g/mol
LogP7.16
Rot. Bonds

About 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene

24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene (PubChem CID 168810962) has the molecular formula C27H19N and a molecular weight of 357.46 g/mol. Its IUPAC name is 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene.

Molecular Properties

Compound Name24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
PubChem CID168810962
Molecular FormulaC27H19N
Molecular Weight357.46 g/mol
Exact Mass357.15
IUPAC Name24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
SMILESCn1ccc2c3c(ccc21)-c1ccccc1-c1ccccc1-c1ccccc1-3
InChIInChI=1S/C27H19N/c1-28-17-16-25-26(28)15-14-24-22-12-5-4-10-20(22)18-8-2-3-9-19(18)21-11-6-7-13-23(21)27(24)25/h2-17H,1H3/b20-18-,21-19-,24-22-,27-23+
InChIKeyFFBXGWJVVPUAIW-IPIAKPPJSA-N
XLogP7.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene with MolForge

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Related Compounds

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CID 164748084
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Frequently Asked Questions

What is the IUPAC name of 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene?
The IUPAC name of 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene (CID 168810962) is 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene.
What is the SMILES notation for 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene?
The canonical SMILES for 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene is Cn1ccc2c3c(ccc21)-c1ccccc1-c1ccccc1-c1ccccc1-3.
What is the InChIKey of 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene?
The InChIKey is FFBXGWJVVPUAIW-IPIAKPPJSA-N. The full InChI is InChI=1S/C27H19N/c1-28-17-16-25-26(28)15-14-24-22-12-5-4-10-20(22)18-8-2-3-9-19(18)21-11-6-7-13-23(21)27(24)25/h2-17H,1H3/b20-18-,21-19-,24-22-,27-23+.
What are the key properties of 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene?
24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene has a molecular weight of 357.46 g/mol, XLogP of 7.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene is sourced from PubChem (CID 168810962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).