ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene

C65H133NOS — CID 158584481

IUPACethane;furan;2-methylpyridine;naphthalene;thiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.c1ccc2ccccc2c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C10H8.C7H8.C6H7N.C4H4O.C4H4S.17C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-2-4-5-3-1;17*1-2/h1-8H;2-6H,1H3;2-5H,1H3;2*1-4H;17*1-2H3
InChIKeyHTQRRHPIAHJQPK-UHFFFAOYSA-N
MW976.85 g/mol
LogP26.70
Rot. Bonds

About ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene

ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene (PubChem CID 158584481) has the molecular formula C65H133NOS and a molecular weight of 976.85 g/mol. Its IUPAC name is ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene.

Molecular Properties

Compound Nameethane;furan;2-methylpyridine;naphthalene;thiophene;toluene
PubChem CID158584481
Molecular FormulaC65H133NOS
Molecular Weight976.85 g/mol
Exact Mass976.01
IUPAC Nameethane;furan;2-methylpyridine;naphthalene;thiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.c1ccc2ccccc2c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C10H8.C7H8.C6H7N.C4H4O.C4H4S.17C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-2-4-5-3-1;17*1-2/h1-8H;2-6H,1H3;2-5H,1H3;2*1-4H;17*1-2H3
InChIKeyHTQRRHPIAHJQPK-UHFFFAOYSA-N
XLogP26.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.85
LogP ≤ 526.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
2-(Furan-3-yl)-3-thiophen-2-ylpyridine
CID 91520893
(2-Furylmethyl)(isoquinolin-5-ylmethyl)(3-thienylmethyl)amine
CID 46983737
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
2-(4-Thiophen-2-ylfuran-3-yl)pyridine
CID 54023287

Frequently Asked Questions

What is the IUPAC name of ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene?
The IUPAC name of ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene (CID 158584481) is ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene.
What is the SMILES notation for ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene?
The canonical SMILES for ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.c1ccc2ccccc2c1.c1ccoc1.c1ccsc1.
What is the InChIKey of ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene?
The InChIKey is HTQRRHPIAHJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C7H8.C6H7N.C4H4O.C4H4S.17C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-2-4-5-3-1;17*1-2/h1-8H;2-6H,1H3;2-5H,1H3;2*1-4H;17*1-2H3.
What are the key properties of ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene?
ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene has a molecular weight of 976.85 g/mol, XLogP of 26.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;2-methylpyridine;naphthalene;thiophene;toluene is sourced from PubChem (CID 158584481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).