6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

C14H6Br2N2 — CID 155655747

IUPAC6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESBrc1cc2cnc3cc(Br)cc4cnc(c1)c2c43
InChIInChI=1S/C14H6Br2N2/c15-9-1-7-5-17-12-4-10(16)2-8-6-18-11(3-9)13(7)14(8)12/h1-6H
InChIKeyGYANRSGYVLULKI-UHFFFAOYSA-N
MW362.02 g/mol
LogP4.90
Rot. Bonds

About 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (PubChem CID 155655747) has the molecular formula C14H6Br2N2 and a molecular weight of 362.02 g/mol. Its IUPAC name is 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.

Molecular Properties

Compound Name6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
PubChem CID155655747
Molecular FormulaC14H6Br2N2
Molecular Weight362.02 g/mol
Exact Mass359.89
IUPAC Name6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESBrc1cc2cnc3cc(Br)cc4cnc(c1)c2c43
InChIInChI=1S/C14H6Br2N2/c15-9-1-7-5-17-12-4-10(16)2-8-6-18-11(3-9)13(7)14(8)12/h1-6H
InChIKeyGYANRSGYVLULKI-UHFFFAOYSA-N
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.02
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene with MolForge

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Related Compounds

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3-bromoquinoline;hydrobromide
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CID 156630807
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CID 84688958
7-bromo-2-methylquinazoline
CID 22607818
3,7-dibromoisoquinoline
CID 121231774
6-bromo-1H-pyrido[2,3-d]pyrimidin-2-one
CID 118036732
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CID 22607530

Frequently Asked Questions

What is the IUPAC name of 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The IUPAC name of 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (CID 155655747) is 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.
What is the SMILES notation for 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The canonical SMILES for 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is Brc1cc2cnc3cc(Br)cc4cnc(c1)c2c43.
What is the InChIKey of 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The InChIKey is GYANRSGYVLULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2N2/c15-9-1-7-5-17-12-4-10(16)2-8-6-18-11(3-9)13(7)14(8)12/h1-6H.
What are the key properties of 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene has a molecular weight of 362.02 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dibromo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is sourced from PubChem (CID 155655747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).