13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene

C24H14N2 — CID 175483832

IUPAC13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
SMILESc1ccc2c(c1)ccc1c3ncccc3c3c4cccnc4ccc3c21
InChIInChI=1S/C24H14N2/c1-2-6-16-15(5-1)9-10-20-22(16)18-11-12-21-17(7-3-13-25-21)23(18)19-8-4-14-26-24(19)20/h1-14H
InChIKeyMFULQQZAKMZXCZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP6.24
Rot. Bonds

About 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene

13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene (PubChem CID 175483832) has the molecular formula C24H14N2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene.

Molecular Properties

Compound Name13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
PubChem CID175483832
Molecular FormulaC24H14N2
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC Name13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
SMILESc1ccc2c(c1)ccc1c3ncccc3c3c4cccnc4ccc3c21
InChIInChI=1S/C24H14N2/c1-2-6-16-15(5-1)9-10-20-22(16)18-11-12-21-17(7-3-13-25-21)23(18)19-8-4-14-26-24(19)20/h1-14H
InChIKeyMFULQQZAKMZXCZ-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene with MolForge

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Related Compounds

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CID 175465437
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CID 87856781
CID 87856781
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beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
methanol;1,7-phenanthroline
CID 174496893
9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene-4,5-dicarbonitrile
CID 139436460
6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 129303441
12-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene-3,4,5,6-tetracarbonitrile
CID 139436094

Frequently Asked Questions

What is the IUPAC name of 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene?
The IUPAC name of 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene (CID 175483832) is 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene.
What is the SMILES notation for 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene?
The canonical SMILES for 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene is c1ccc2c(c1)ccc1c3ncccc3c3c4cccnc4ccc3c21.
What is the InChIKey of 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene?
The InChIKey is MFULQQZAKMZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2/c1-2-6-16-15(5-1)9-10-20-22(16)18-11-12-21-17(7-3-13-25-21)23(18)19-8-4-14-26-24(19)20/h1-14H.
What are the key properties of 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene?
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene has a molecular weight of 330.39 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene is sourced from PubChem (CID 175483832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).