2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene

C22H10N2 — CID 15569109

IUPAC2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene
SMILESc1cc2ccc3ccc4nnc5ccc6ccc1c1c2c3c4c5c61
InChIInChI=1S/C22H10N2/c1-2-12-4-6-14-8-10-16-22-20(14)18(12)17-11(1)3-5-13-7-9-15(23-24-16)21(22)19(13)17/h1-10H
InChIKeyCBJATLKDHQSHMD-UHFFFAOYSA-N
MW302.34 g/mol
LogP5.71
Rot. Bonds

About 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene

2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene (PubChem CID 15569109) has the molecular formula C22H10N2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene.

Molecular Properties

Compound Name2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene
PubChem CID15569109
Molecular FormulaC22H10N2
Molecular Weight302.34 g/mol
Exact Mass302.08
IUPAC Name2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene
SMILESc1cc2ccc3ccc4nnc5ccc6ccc1c1c2c3c4c5c61
InChIInChI=1S/C22H10N2/c1-2-12-4-6-14-8-10-16-22-20(14)18(12)17-11(1)3-5-13-7-9-15(23-24-16)21(22)19(13)17/h1-10H
InChIKeyCBJATLKDHQSHMD-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.34
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene?
The IUPAC name of 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene (CID 15569109) is 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene.
What is the SMILES notation for 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene?
The canonical SMILES for 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene is c1cc2ccc3ccc4nnc5ccc6ccc1c1c2c3c4c5c61.
What is the InChIKey of 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene?
The InChIKey is CBJATLKDHQSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N2/c1-2-12-4-6-14-8-10-16-22-20(14)18(12)17-11(1)3-5-13-7-9-15(23-24-16)21(22)19(13)17/h1-10H.
What are the key properties of 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene?
2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene has a molecular weight of 302.34 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene is sourced from PubChem (CID 15569109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).