2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine

C99H59FN10Se4 — CID 162149905

IUPAC2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine
SMILES[C-]#[N+]c1cc2[se]c3c(-c4ccccn4)cccc3c2cc1F.[C-]#[N+]c1ccc2c(c1)[se]c1c(-c3ccc(C)cn3)cccc12.[C-]#[N+]c1cccc2c1Cc1c(-c3ccccn3)cccc1-2.[C-]#[N+]c1cccc2c1[se]c1c(-c3cc(-c4ccccc4)ccn3)cccc12.[C-]#[N+]c1cccc2c1[se]c1c(-c3ccc(C)cn3)cccc12
InChIInChI=1S/C24H14N2Se.2C19H12N2Se.C19H12N2.C18H9FN2Se/c1-25-21-12-6-10-19-18-9-5-11-20(23(18)27-24(19)21)22-15-17(13-14-26-22)16-7-3-2-4-8-16;1-12-9-10-16(21-11-12)15-7-3-5-13-14-6-4-8-17(20-2)19(14)22-18(13)15;1-12-6-9-17(21-11-12)16-5-3-4-15-14-8-7-13(20-2)10-18(14)22-19(15)16;1-20-18-10-5-7-14-13-6-4-8-15(16(13)12-17(14)18)19-9-2-3-11-21-19;1-20-16-10-17-13(9-14(16)19)11-5-4-6-12(18(11)22-17)15-7-2-3-8-21-15/h2-15H;2*3-11H,1H3;2-11H,12H2;2-10H
InChIKeyZLBHPUCKYBKMIB-UHFFFAOYSA-N
MW1723.47 g/mol
LogP25.94
Rot. Bonds6

About 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine

2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine (PubChem CID 162149905) has the molecular formula C99H59FN10Se4 and a molecular weight of 1723.47 g/mol. Its IUPAC name is 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine.

Molecular Properties

Compound Name2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine
PubChem CID162149905
Molecular FormulaC99H59FN10Se4
Molecular Weight1723.47 g/mol
Exact Mass1726.16
IUPAC Name2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine
SMILES[C-]#[N+]c1cc2[se]c3c(-c4ccccn4)cccc3c2cc1F.[C-]#[N+]c1ccc2c(c1)[se]c1c(-c3ccc(C)cn3)cccc12.[C-]#[N+]c1cccc2c1Cc1c(-c3ccccn3)cccc1-2.[C-]#[N+]c1cccc2c1[se]c1c(-c3cc(-c4ccccc4)ccn3)cccc12.[C-]#[N+]c1cccc2c1[se]c1c(-c3ccc(C)cn3)cccc12
InChIInChI=1S/C24H14N2Se.2C19H12N2Se.C19H12N2.C18H9FN2Se/c1-25-21-12-6-10-19-18-9-5-11-20(23(18)27-24(19)21)22-15-17(13-14-26-22)16-7-3-2-4-8-16;1-12-9-10-16(21-11-12)15-7-3-5-13-14-6-4-8-17(20-2)19(14)22-18(13)15;1-12-6-9-17(21-11-12)16-5-3-4-15-14-8-7-13(20-2)10-18(14)22-19(15)16;1-20-18-10-5-7-14-13-6-4-8-15(16(13)12-17(14)18)19-9-2-3-11-21-19;1-20-16-10-17-13(9-14(16)19)11-5-4-6-12(18(11)22-17)15-7-2-3-8-21-15/h2-15H;2*3-11H,1H3;2-11H,12H2;2-10H
InChIKeyZLBHPUCKYBKMIB-UHFFFAOYSA-N
XLogP25.94
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001723.47
LogP ≤ 525.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine with MolForge

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Related Compounds

2-(6-isocyanodibenzoselenophen-4-yl)pyridine
CID 154616215
2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
CID 154615297
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 158946315
2-(6-isocyano-9H-fluoren-1-yl)pyridine
CID 162258416
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439
2-(7-fluoro-8-isocyano-9H-fluoren-1-yl)pyridine
CID 157059916
2-[2-[3-[2-(2-isocyano-4-pyridin-2-ylphenyl)phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)-2-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-2-ylbenzonitrile
CID 153458243
iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 169038594
2-(9H-fluoren-1-yl)-4-triphenylen-2-ylpyridine;2-(9H-fluoren-3-yl)-4-triphenylen-2-ylpyridine;2-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-1-yl]pyridine
CID 158873938
2-(2-fluorophenyl)-4-phenylpyridine
CID 54208390
2-(2,4-dimethylphenyl)-4-phenylpyridine
CID 166502806

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine?
The IUPAC name of 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine (CID 162149905) is 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine.
What is the SMILES notation for 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine?
The canonical SMILES for 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine is [C-]#[N+]c1cc2[se]c3c(-c4ccccn4)cccc3c2cc1F.[C-]#[N+]c1ccc2c(c1)[se]c1c(-c3ccc(C)cn3)cccc12.[C-]#[N+]c1cccc2c1Cc1c(-c3ccccn3)cccc1-2.[C-]#[N+]c1cccc2c1[se]c1c(-c3cc(-c4ccccc4)ccn3)cccc12.[C-]#[N+]c1cccc2c1[se]c1c(-c3ccc(C)cn3)cccc12.
What is the InChIKey of 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine?
The InChIKey is ZLBHPUCKYBKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2Se.2C19H12N2Se.C19H12N2.C18H9FN2Se/c1-25-21-12-6-10-19-18-9-5-11-20(23(18)27-24(19)21)22-15-17(13-14-26-22)16-7-3-2-4-8-16;1-12-9-10-16(21-11-12)15-7-3-5-13-14-6-4-8-17(20-2)19(14)22-18(13)15;1-12-6-9-17(21-11-12)16-5-3-4-15-14-8-7-13(20-2)10-18(14)22-19(15)16;1-20-18-10-5-7-14-13-6-4-8-15(16(13)12-17(14)18)19-9-2-3-11-21-19;1-20-16-10-17-13(9-14(16)19)11-5-4-6-12(18(11)22-17)15-7-2-3-8-21-15/h2-15H;2*3-11H,1H3;2-11H,12H2;2-10H.
What are the key properties of 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine?
2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine has a molecular weight of 1723.47 g/mol, XLogP of 25.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine is sourced from PubChem (CID 162149905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).