3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene

C15H10BrN — CID 139798494

IUPAC3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene
SMILESBrC1=Cn2c3ccccc3c3cccc(c32)C1
InChIInChI=1S/C15H10BrN/c16-11-8-10-4-3-6-13-12-5-1-2-7-14(12)17(9-11)15(10)13/h1-7,9H,8H2
InChIKeyZJWIHGJVZLMESC-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.54
Rot. Bonds

About 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene

3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene (PubChem CID 139798494) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene.

Molecular Properties

Compound Name3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene
PubChem CID139798494
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene
SMILESBrC1=Cn2c3ccccc3c3cccc(c32)C1
InChIInChI=1S/C15H10BrN/c16-11-8-10-4-3-6-13-12-5-1-2-7-14(12)17(9-11)15(10)13/h1-7,9H,8H2
InChIKeyZJWIHGJVZLMESC-UHFFFAOYSA-N
XLogP4.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162093408
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CID 118380474
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3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10,12,14-heptaen-4-one
CID 21252817
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CID 129063021
11-(1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-ylmethyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 159739552
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CID 141387102
3,5-dibromo-4-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,7,9,11(18),12,14,16-octaene
CID 163298409
2,11,27,36-tetrazapentadecacyclo[25.23.1.12,9.111,19.136,44.03,8.010,24.012,17.028,33.034,51.035,49.037,42.023,53.026,54.048,52]tetrapentaconta-1(51),3,5,7,9,12,14,16,19(53),20,22,24,26(54),28,30,32,34,37,39,41,44(52),45,47,49-tetracosaene
CID 171595177
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CID 167548772
6,13-diazahexacyclo[11.10.1.02,6.07,12.014,19.020,24]tetracosa-1(23),2,4,7,9,11,14,16,18,20(24),21-undecaene
CID 121385973

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene?
The IUPAC name of 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene (CID 139798494) is 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene.
What is the SMILES notation for 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene?
The canonical SMILES for 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene is BrC1=Cn2c3ccccc3c3cccc(c32)C1.
What is the InChIKey of 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene?
The InChIKey is ZJWIHGJVZLMESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN/c16-11-8-10-4-3-6-13-12-5-1-2-7-14(12)17(9-11)15(10)13/h1-7,9H,8H2.
What are the key properties of 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene?
3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene has a molecular weight of 284.16 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8,10,12,14-heptaene is sourced from PubChem (CID 139798494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).