benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine

C130H202N20 — CID 157104193

IUPACbenzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine
SMILESC1=CCC=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)nnc1ccccc12.c1ccc2nc3ccccc3nc2c1.c1ccncc1.c1ccnnc1.c1cnc2c(c1)ccc1cccnc12.c1cncnc1.c1ncncn1
InChIInChI=1S/C15H11N3.3C12H8N2.C10H8N2.C5H5N.C5H6.2C4H4N2.C4H5N.C3H3N3.22C2H6/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-4-2-6-3-5-1;22*1-2/h1-11H;3*1-8H;1-8H;1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-3H;22*1-2H3
InChIKeyAGCPZBGHJWDGCJ-UHFFFAOYSA-N
MW2045.19 g/mol
LogP40.66
Rot. Bonds3

About benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine

benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine (PubChem CID 157104193) has the molecular formula C130H202N20 and a molecular weight of 2045.19 g/mol. Its IUPAC name is benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine.

Molecular Properties

Compound Namebenzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine
PubChem CID157104193
Molecular FormulaC130H202N20
Molecular Weight2045.19 g/mol
Exact Mass2043.64
IUPAC Namebenzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine
SMILESC1=CCC=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)nnc1ccccc12.c1ccc2nc3ccccc3nc2c1.c1ccncc1.c1ccnnc1.c1cnc2c(c1)ccc1cccnc12.c1cncnc1.c1ncncn1
InChIInChI=1S/C15H11N3.3C12H8N2.C10H8N2.C5H5N.C5H6.2C4H4N2.C4H5N.C3H3N3.22C2H6/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-4-2-6-3-5-1;22*1-2/h1-11H;3*1-8H;1-8H;1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-3H;22*1-2H3
InChIKeyAGCPZBGHJWDGCJ-UHFFFAOYSA-N
XLogP40.66
TPSA257.27 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002045.19
LogP ≤ 540.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine with MolForge

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Related Compounds

1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
2-cinnolin-3-yl-1,7-phenanthroline
CID 175435696
7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 161112426
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
bis(1,10-phenanthroline);5-pyridin-2-yl-1,2,4-triazine;ruthenium
CID 155643114
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
benzo[b][1,5]naphthyridine;pyridine
CID 175337772
7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
CID 158503228
8-pyridin-2-ylquinoline
CID 10982041
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626

Frequently Asked Questions

What is the IUPAC name of benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine?
The IUPAC name of benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine (CID 157104193) is benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine.
What is the SMILES notation for benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine?
The canonical SMILES for benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine is C1=CCC=C1.C1=CN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)nnc1ccccc12.c1ccc2nc3ccccc3nc2c1.c1ccncc1.c1ccnnc1.c1cnc2c(c1)ccc1cccnc12.c1cncnc1.c1ncncn1.
What is the InChIKey of benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine?
The InChIKey is AGCPZBGHJWDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.3C12H8N2.C10H8N2.C5H5N.C5H6.2C4H4N2.C4H5N.C3H3N3.22C2H6/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1;1-4-2-6-3-5-1;22*1-2/h1-11H;3*1-8H;1-8H;1-5H;1-4H,5H2;2*1-4H;1,3-4H,2H2;1-3H;22*1-2H3.
What are the key properties of benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine?
benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine has a molecular weight of 2045.19 g/mol, XLogP of 40.66, 3 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]cinnoline;cyclopenta-1,3-diene;2,6-dipyridin-2-ylpyridine;ethane;1,10-phenanthroline;phenazine;pyridazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;3H-pyrrole;1,3,5-triazine is sourced from PubChem (CID 157104193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).