benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene

C177H235NOS — CID 159658178

IUPACbenzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(-c3cccc4ccccc34)ccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/3C20H14.2C16H12.C12H10.C10H8.C6H6.C5H5N.C4H4O.C4H4S.22C2H6/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20;1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;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;22*1-2/h3*1-14H;2*1-12H;1-10H;1-8H;1-6H;1-5H;2*1-4H;22*1-2H3
InChIKeyMSLFIPPTKKYTKO-UHFFFAOYSA-N
MW2424.90 g/mol
LogP60.56
Rot. Bonds6

About benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene

benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene (PubChem CID 159658178) has the molecular formula C177H235NOS and a molecular weight of 2424.90 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene.

Molecular Properties

Compound Namebenzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene
PubChem CID159658178
Molecular FormulaC177H235NOS
Molecular Weight2424.90 g/mol
Exact Mass2422.81
IUPAC Namebenzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(-c3cccc4ccccc34)ccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/3C20H14.2C16H12.C12H10.C10H8.C6H6.C5H5N.C4H4O.C4H4S.22C2H6/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20;1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;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;22*1-2/h3*1-14H;2*1-12H;1-10H;1-8H;1-6H;1-5H;2*1-4H;22*1-2H3
InChIKeyMSLFIPPTKKYTKO-UHFFFAOYSA-N
XLogP60.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002424.90
LogP ≤ 560.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene with MolForge

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Related Compounds

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-Amino-4-(furan-3-yl)benzonitrile;2-amino-4-naphthalen-1-ylbenzonitrile;2-amino-4-pyridin-3-ylbenzonitrile;2-amino-4-thiophen-3-ylbenzonitrile;2-amino-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 160523100
(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
26-Oxa-3-thia-10-azaheptacyclo[14.10.1.02,14.04,13.07,12.018,23.024,27]heptacosa-1(27),2(14),4(13),5,7(12),8,10,16,18,20,22,24-dodecaene
CID 57536392
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-[4-(14-Dibenzothiophen-4-yl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-15-yl)phenyl]pyridine
CID 89516515

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene?
The IUPAC name of benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene (CID 159658178) is benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene.
What is the SMILES notation for benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene?
The canonical SMILES for benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2ccc3ccccc3c2)cc1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1.c1ccc2cc(-c3cccc4ccccc34)ccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.
What is the InChIKey of benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene?
The InChIKey is MSLFIPPTKKYTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H14.2C16H12.C12H10.C10H8.C6H6.C5H5N.C4H4O.C4H4S.22C2H6/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20;1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;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;22*1-2/h3*1-14H;2*1-12H;1-10H;1-8H;1-6H;1-5H;2*1-4H;22*1-2H3.
What are the key properties of benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene?
benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene has a molecular weight of 2424.90 g/mol, XLogP of 60.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1'-biphenyl;ethane;furan;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene is sourced from PubChem (CID 159658178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).