25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene

C27H17N — CID 137294888

IUPAC25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc3ncccc3c1-c1ccccc1-2
InChIInChI=1S/C27H17N/c1-2-9-19-18(8-1)20-10-3-4-12-22(20)24-15-16-26-25(14-7-17-28-26)27(24)23-13-6-5-11-21(19)23/h1-17H/b20-18-,21-19-,24-22-,27-23+
InChIKeyLLXPBYHCBSDLQK-IPIAKPPJSA-N
MW355.44 g/mol
LogP7.22
Rot. Bonds

About 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene

25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene (PubChem CID 137294888) has the molecular formula C27H17N and a molecular weight of 355.44 g/mol. Its IUPAC name is 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene.

Molecular Properties

Compound Name25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
PubChem CID137294888
Molecular FormulaC27H17N
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc3ncccc3c1-c1ccccc1-2
InChIInChI=1S/C27H17N/c1-2-9-19-18(8-1)20-10-3-4-12-22(20)24-15-16-26-25(14-7-17-28-26)27(24)23-13-6-5-11-21(19)23/h1-17H/b20-18-,21-19-,24-22-,27-23+
InChIKeyLLXPBYHCBSDLQK-IPIAKPPJSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
The IUPAC name of 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene (CID 137294888) is 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene.
What is the SMILES notation for 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
The canonical SMILES for 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1ccc3ncccc3c1-c1ccccc1-2.
What is the InChIKey of 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
The InChIKey is LLXPBYHCBSDLQK-IPIAKPPJSA-N. The full InChI is InChI=1S/C27H17N/c1-2-9-19-18(8-1)20-10-3-4-12-22(20)24-15-16-26-25(14-7-17-28-26)27(24)23-13-6-5-11-21(19)23/h1-17H/b20-18-,21-19-,24-22-,27-23+.
What are the key properties of 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene has a molecular weight of 355.44 g/mol, XLogP of 7.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene is sourced from PubChem (CID 137294888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).