2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C14H8N2 — CID 20558356

IUPAC2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3cnnc-2c13
InChIInChI=1S/C14H8N2/c1-2-6-12-10(5-1)11-7-3-4-9-8-15-16-14(12)13(9)11/h1-8H
InChIKeyMOTOIKKWEDOTNV-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.28
Rot. Bonds

About 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 20558356) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID20558356
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3cnnc-2c13
InChIInChI=1S/C14H8N2/c1-2-6-12-10(5-1)11-7-3-4-9-8-15-16-14(12)13(9)11/h1-8H
InChIKeyMOTOIKKWEDOTNV-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

fluoranthene
CID 139203734
2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 20513184
1-phenylphthalazine
CID 609624
1,8-dichlorophthalazine
CID 53407086
9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene
CID 154183141
8-ethynyl-1-methylphthalazine
CID 167522439
5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
CID 166133820
5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
CID 175828130
ethane;fluoranthene;triphenylene
CID 160720447
fluoranthene;toluene
CID 173324369
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
1-(2,4-difluorophenyl)phthalazine
CID 175330738

Frequently Asked Questions

What is the IUPAC name of 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 20558356) is 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc2c(c1)-c1cccc3cnnc-2c13.
What is the InChIKey of 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is MOTOIKKWEDOTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c1-2-6-12-10(5-1)11-7-3-4-9-8-15-16-14(12)13(9)11/h1-8H.
What are the key properties of 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 204.23 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 20558356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).