anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene

C235H285NO2S2 — CID 157333836

IUPACanthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C24H18.C18H12.C18H14.C16H10.2C14H10.2C12H8O.2C12H8S.C12H10.C10H8.C6H6.C5H5N.25C2H6/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;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;25*1-2/h1-18H;1-12H;1-14H;1-10H;2*1-10H;4*1-8H;1-10H;1-8H;1-6H;1-5H;25*1-2H3
InChIKeyBFPGXTNAPGOTCK-UHFFFAOYSA-N
MW3220.00 g/mol
LogP79.32
Rot. Bonds6

About anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene

anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene (PubChem CID 157333836) has the molecular formula C235H285NO2S2 and a molecular weight of 3220.00 g/mol. Its IUPAC name is anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene.

Molecular Properties

Compound Nameanthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene
PubChem CID157333836
Molecular FormulaC235H285NO2S2
Molecular Weight3220.00 g/mol
Exact Mass3217.17
IUPAC Nameanthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C24H18.C18H12.C18H14.C16H10.2C14H10.2C12H8O.2C12H8S.C12H10.C10H8.C6H6.C5H5N.25C2H6/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;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;25*1-2/h1-18H;1-12H;1-14H;1-10H;2*1-10H;4*1-8H;1-10H;1-8H;1-6H;1-5H;25*1-2H3
InChIKeyBFPGXTNAPGOTCK-UHFFFAOYSA-N
XLogP79.32
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003220.00
LogP ≤ 579.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene with MolForge

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Related Compounds

2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
2-(3-Fluoronaphthalen-1-yl)-6-(7-phenyldibenzofuran-1-yl)-4-(7-pyridin-3-yldibenzothiophen-2-yl)-1,4-dihydro-1,3,5-triazine
CID 138519292
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
3-[10-[6-(10-Phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]pyridine;6-(10-phenylanthracen-9-yl)-1-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 158465711
1-Benzofuran-2-ylboronic acid;1-benzothiophen-2-ylboronic acid;[3,5-bis(trifluoromethyl)phenyl]boronic acid;(2-hydroxyphenyl)boronic acid;(3-hydroxyphenyl)boronic acid;(2-methoxyphenyl)boronic acid;pyridin-3-ylboronic acid;thiophen-2-ylboronic acid;thiophen-3-ylboronic acid
CID 160136080
1,4-Difluoro-2,5-dimethylbenzene;4,7-dimethyl-1-benzothiophene;1,4-dimethyldibenzofuran;5,8-dimethylisoquinoline;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;1,3-xylene;1,4-xylene
CID 160324263
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine
CID 162500351
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 162500373
2-[6-(1-Benzothiophen-6-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849211
2-(7-Fluoro-3-methyl-6-thieno[3,2-b]thiophen-6-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849402

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene?
The IUPAC name of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene (CID 157333836) is anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene.
What is the SMILES notation for anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene?
The canonical SMILES for anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene?
The InChIKey is BFPGXTNAPGOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.C18H12.C18H14.C16H10.2C14H10.2C12H8O.2C12H8S.C12H10.C10H8.C6H6.C5H5N.25C2H6/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;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;25*1-2/h1-18H;1-12H;1-14H;1-10H;2*1-10H;4*1-8H;1-10H;1-8H;1-6H;1-5H;25*1-2H3.
What are the key properties of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene?
anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene has a molecular weight of 3220.00 g/mol, XLogP of 79.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;triphenylene is sourced from PubChem (CID 157333836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).