cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene

C61H57N9OS2 — CID 158152067

IUPACcyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene
SMILESC1=CCC=C1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cscn1
InChIInChI=1S/2C9H7N.C8H7N.3C5H5N.C5H6.C4H4N2.C4H4O.C4H4S.C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-7H;1-6,9H;3*1-5H;1-4H,5H2;1-4H;2*1-4H;1-3H
InChIKeyFVFQDIPYWIUISV-UHFFFAOYSA-N
MW996.32 g/mol
LogP16.03
Rot. Bonds

About cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene

cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene (PubChem CID 158152067) has the molecular formula C61H57N9OS2 and a molecular weight of 996.32 g/mol. Its IUPAC name is cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene
PubChem CID158152067
Molecular FormulaC61H57N9OS2
Molecular Weight996.32 g/mol
Exact Mass995.41
IUPAC Namecyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene
SMILESC1=CCC=C1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cscn1
InChIInChI=1S/2C9H7N.C8H7N.3C5H5N.C5H6.C4H4N2.C4H4O.C4H4S.C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-7H;1-6,9H;3*1-5H;1-4H,5H2;1-4H;2*1-4H;1-3H
InChIKeyFVFQDIPYWIUISV-UHFFFAOYSA-N
XLogP16.03
TPSA132.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500996.32
LogP ≤ 516.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
4-[1-(furan-2-yl)-1-pyridin-2-yl-1-(1H-pyrrol-2-yl)-1-quinolin-2-yl-5-thiophen-2-ylthiadiazol-4-yl]oxadiazole
CID 141167159
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-indole;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157103656
furan;1H-indole;pyridine;1,3-thiazole;thiophene;1,3,5-triazine
CID 157423433
1,3-benzothiazole;cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);pyrazine;pyrazolo[1,5-a]pyrimidine;tris(pyridine);3H-pyrrole;1,3-thiazole;thiophene
CID 157693162
methane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;3-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;2-propan-2-ylthiophene
CID 157973826
2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
CID 158047245
cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyridine;1H-indole;1,3,4-oxadiazole;piperidine;pyrazine;1H-pyrazole;pyridazine;bis(pyridine);2H-pyrrole;3H-pyrrole;pyrrolidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thiophene
CID 158536347
1,3-benzothiazole;cyclopenta-1,3-diene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;bis(pyridine);pyrimidine;1,3-thiazole;thiophene
CID 158596319
benzene;1,3-benzothiazole;1-benzothiophene;cyclohexene;cyclopentene;furan;naphthalene;piperidine;pyridine;1H-pyrrole;3H-pyrrole;thieno[3,2-b]thiophene;thiophene
CID 158906853

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene?
The IUPAC name of cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene (CID 158152067) is cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene.
What is the SMILES notation for cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene?
The canonical SMILES for cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene is C1=CCC=C1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cscn1.
What is the InChIKey of cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene?
The InChIKey is FVFQDIPYWIUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C8H7N.3C5H5N.C5H6.C4H4N2.C4H4O.C4H4S.C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-7H;1-6,9H;3*1-5H;1-4H,5H2;1-4H;2*1-4H;1-3H.
What are the key properties of cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene?
cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene has a molecular weight of 996.32 g/mol, XLogP of 16.03, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;furan;1H-indole;pyridazine;tris(pyridine);quinoline;1,3-thiazole;thiophene is sourced from PubChem (CID 158152067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).