26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene

C25H25N5 — CID 25137952

IUPAC26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene
SMILESc1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2
InChIInChI=1S/C25H25N5/c1-2-17-12-19-5-6-21(28-19)14-23-9-10-25(30-23)15-24-8-7-22(29-24)13-20-4-3-18(27-20)11-16(1)26-17/h1-10,26-30H,11-15H2
InChIKeyMAVTUVNWIBPJKQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.59
Rot. Bonds

About 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene

26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene (PubChem CID 25137952) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene.

Molecular Properties

Compound Name26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene
PubChem CID25137952
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene
SMILESc1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2
InChIInChI=1S/C25H25N5/c1-2-17-12-19-5-6-21(28-19)14-23-9-10-25(30-23)15-24-8-7-22(29-24)13-20-4-3-18(27-20)11-16(1)26-17/h1-10,26-30H,11-15H2
InChIKeyMAVTUVNWIBPJKQ-UHFFFAOYSA-N
XLogP4.59
TPSA78.95 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 100

Analyze 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene?
The IUPAC name of 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene (CID 25137952) is 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene.
What is the SMILES notation for 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene?
The canonical SMILES for 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene is c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)Cc1ccc([nH]1)C2.
What is the InChIKey of 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene?
The InChIKey is MAVTUVNWIBPJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-2-17-12-19-5-6-21(28-19)14-23-9-10-25(30-23)15-24-8-7-22(29-24)13-20-4-3-18(27-20)11-16(1)26-17/h1-10,26-30H,11-15H2.
What are the key properties of 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene?
26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene has a molecular weight of 395.51 g/mol, XLogP of 4.59, 0 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26,27,28,29,30-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene is sourced from PubChem (CID 25137952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).