5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene

C32H24N8 — CID 101424910

IUPAC5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
SMILESc1ccc(-c2nnc(-c3ccccn3)c3c2CCc2c(-c4ccccn4)nnc(-c4ccccn4)c2CC3)nc1
InChIInChI=1S/C32H24N8/c1-5-17-33-25(9-1)29-21-13-14-23-24(16-15-22(21)30(38-37-29)26-10-2-6-18-34-26)32(28-12-4-8-20-36-28)40-39-31(23)27-11-3-7-19-35-27/h1-12,17-20H,13-16H2
InChIKeyCDHDANSGILJCRW-UHFFFAOYSA-N
MW520.60 g/mol
LogP5.40
Rot. Bonds4

About 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene

5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene (PubChem CID 101424910) has the molecular formula C32H24N8 and a molecular weight of 520.60 g/mol. Its IUPAC name is 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene.

Molecular Properties

Compound Name5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
PubChem CID101424910
Molecular FormulaC32H24N8
Molecular Weight520.60 g/mol
Exact Mass520.21
IUPAC Name5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
SMILESc1ccc(-c2nnc(-c3ccccn3)c3c2CCc2c(-c4ccccn4)nnc(-c4ccccn4)c2CC3)nc1
InChIInChI=1S/C32H24N8/c1-5-17-33-25(9-1)29-21-13-14-23-24(16-15-22(21)30(38-37-29)26-10-2-6-18-34-26)32(28-12-4-8-20-36-28)40-39-31(23)27-11-3-7-19-35-27/h1-12,17-20H,13-16H2
InChIKeyCDHDANSGILJCRW-UHFFFAOYSA-N
XLogP5.40
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene with MolForge

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Related Compounds

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CID 15911741
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CID 102119858
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
2-(2H-azirin-3-yl)pyridine
CID 123655147
3,4,5-trimethyl-6-pyridin-2-ylpyridazine
CID 152648665

Frequently Asked Questions

What is the IUPAC name of 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
The IUPAC name of 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene (CID 101424910) is 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene.
What is the SMILES notation for 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
The canonical SMILES for 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene is c1ccc(-c2nnc(-c3ccccn3)c3c2CCc2c(-c4ccccn4)nnc(-c4ccccn4)c2CC3)nc1.
What is the InChIKey of 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
The InChIKey is CDHDANSGILJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N8/c1-5-17-33-25(9-1)29-21-13-14-23-24(16-15-22(21)30(38-37-29)26-10-2-6-18-34-26)32(28-12-4-8-20-36-28)40-39-31(23)27-11-3-7-19-35-27/h1-12,17-20H,13-16H2.
What are the key properties of 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene?
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene has a molecular weight of 520.60 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene is sourced from PubChem (CID 101424910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).