ethane;furan;methane;naphthalene;pyridine;thiophene;toluene

C68H147NOS — CID 158324891

IUPACethane;furan;methane;naphthalene;pyridine;thiophene;toluene
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc2ccccc2c1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C10H8.C7H8.C5H5N.C4H4O.C4H4S.17C2H6.4CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;17*1-2;;;;/h1-8H;2-6H,1H3;1-5H;2*1-4H;17*1-2H3;4*1H4
InChIKeyGPHDFAISSANMQQ-UHFFFAOYSA-N
MW1027.00 g/mol
LogP28.93
Rot. Bonds

About ethane;furan;methane;naphthalene;pyridine;thiophene;toluene

ethane;furan;methane;naphthalene;pyridine;thiophene;toluene (PubChem CID 158324891) has the molecular formula C68H147NOS and a molecular weight of 1027.00 g/mol. Its IUPAC name is ethane;furan;methane;naphthalene;pyridine;thiophene;toluene.

Molecular Properties

Compound Nameethane;furan;methane;naphthalene;pyridine;thiophene;toluene
PubChem CID158324891
Molecular FormulaC68H147NOS
Molecular Weight1027.00 g/mol
Exact Mass1026.12
IUPAC Nameethane;furan;methane;naphthalene;pyridine;thiophene;toluene
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc2ccccc2c1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C10H8.C7H8.C5H5N.C4H4O.C4H4S.17C2H6.4CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;17*1-2;;;;/h1-8H;2-6H,1H3;1-5H;2*1-4H;17*1-2H3;4*1H4
InChIKeyGPHDFAISSANMQQ-UHFFFAOYSA-N
XLogP28.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.00
LogP ≤ 528.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
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-Furylmethyl)(isoquinolin-5-ylmethyl)(3-thienylmethyl)amine
CID 46983737
Furan;pyridine;thiophene
CID 19385467
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
3-[6-(3-Furyl)benzo[b]thiophen-3-yl]pyridine hydrochloride
CID 69950886
3-[6-(Furan-3-yl)-1-benzothiophen-3-yl]pyridine
CID 69950887
3-[6-(Furan-2-yl)-1-benzothiophen-3-yl]pyridine
CID 69951355

Frequently Asked Questions

What is the IUPAC name of ethane;furan;methane;naphthalene;pyridine;thiophene;toluene?
The IUPAC name of ethane;furan;methane;naphthalene;pyridine;thiophene;toluene (CID 158324891) is ethane;furan;methane;naphthalene;pyridine;thiophene;toluene.
What is the SMILES notation for ethane;furan;methane;naphthalene;pyridine;thiophene;toluene?
The canonical SMILES for ethane;furan;methane;naphthalene;pyridine;thiophene;toluene is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.c1ccc2ccccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.
What is the InChIKey of ethane;furan;methane;naphthalene;pyridine;thiophene;toluene?
The InChIKey is GPHDFAISSANMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C7H8.C5H5N.C4H4O.C4H4S.17C2H6.4CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;17*1-2;;;;/h1-8H;2-6H,1H3;1-5H;2*1-4H;17*1-2H3;4*1H4.
What are the key properties of ethane;furan;methane;naphthalene;pyridine;thiophene;toluene?
ethane;furan;methane;naphthalene;pyridine;thiophene;toluene has a molecular weight of 1027.00 g/mol, XLogP of 28.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;methane;naphthalene;pyridine;thiophene;toluene is sourced from PubChem (CID 158324891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).