benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene

C53H47NO2S — CID 160948528

IUPACbenzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene
SMILESc1ccc(-c2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C12H10O.C12H10.C10H8.C6H6.C5H5N.C4H4O.C4H4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1/h1-10H;1-10H;1-8H;1-6H;1-5H;2*1-4H
InChIKeySVLDRKKBSPGQMR-UHFFFAOYSA-N
MW762.03 g/mol
LogP15.47
Rot. Bonds3

About benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene

benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene (PubChem CID 160948528) has the molecular formula C53H47NO2S and a molecular weight of 762.03 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene
PubChem CID160948528
Molecular FormulaC53H47NO2S
Molecular Weight762.03 g/mol
Exact Mass761.33
IUPAC Namebenzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene
SMILESc1ccc(-c2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C12H10O.C12H10.C10H8.C6H6.C5H5N.C4H4O.C4H4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1/h1-10H;1-10H;1-8H;1-6H;1-5H;2*1-4H
InChIKeySVLDRKKBSPGQMR-UHFFFAOYSA-N
XLogP15.47
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.03
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4,4,4-Trifluoro-1-(furan-2-yl)butane-1,3-dione;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione;4,4,4-trifluoro-1-phenylbutane-1,3-dione;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
CID 157475025
2-Amino-5-(furan-3-yl)benzonitrile;2-amino-5-naphthalen-1-ylbenzonitrile;2-amino-5-pyridin-3-ylbenzonitrile;2-amino-5-thiophen-3-ylbenzonitrile;2-amino-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 158228785
(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-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
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 benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene?
The IUPAC name of benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene (CID 160948528) is benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene.
What is the SMILES notation for benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene?
The canonical SMILES for benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene is c1ccc(-c2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.
What is the InChIKey of benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene?
The InChIKey is SVLDRKKBSPGQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C12H10.C10H8.C6H6.C5H5N.C4H4O.C4H4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1/h1-10H;1-10H;1-8H;1-6H;1-5H;2*1-4H.
What are the key properties of benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene?
benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene has a molecular weight of 762.03 g/mol, XLogP of 15.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;furan;naphthalene;phenoxybenzene;pyridine;thiophene is sourced from PubChem (CID 160948528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).