ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene

C147H136O3S2 — CID 159785263

IUPACethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene
SMILESCC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1.c1ccc(-c2cc3ccccc3c3c2sc2ccccc23)cc1.c1ccc(-c2cccc3c2oc2ccc4ccccc4c23)cc1.c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/2C22H14O.C22H14S.C18H12O.C18H12S.5C7H8.5C2H6/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)23-22(19)21;1-2-7-15(8-3-1)18-11-6-12-19-21-17-10-5-4-9-16(17)13-14-20(21)23-22(18)19;1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)23-22(19)21;2*1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16;5*1-7-5-3-2-4-6-7;5*1-2/h3*1-14H;2*1-12H;5*2-6H,1H3;5*1-2H3
InChIKeyNHWFIUFUTAESEA-UHFFFAOYSA-N
MW2014.84 g/mol
LogP45.77
Rot. Bonds5

About ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene

ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene (PubChem CID 159785263) has the molecular formula C147H136O3S2 and a molecular weight of 2014.84 g/mol. Its IUPAC name is ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene.

Molecular Properties

Compound Nameethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene
PubChem CID159785263
Molecular FormulaC147H136O3S2
Molecular Weight2014.84 g/mol
Exact Mass2012.99
IUPAC Nameethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene
SMILESCC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1.c1ccc(-c2cc3ccccc3c3c2sc2ccccc23)cc1.c1ccc(-c2cccc3c2oc2ccc4ccccc4c23)cc1.c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/2C22H14O.C22H14S.C18H12O.C18H12S.5C7H8.5C2H6/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)23-22(19)21;1-2-7-15(8-3-1)18-11-6-12-19-21-17-10-5-4-9-16(17)13-14-20(21)23-22(18)19;1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)23-22(19)21;2*1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16;5*1-7-5-3-2-4-6-7;5*1-2/h3*1-14H;2*1-12H;5*2-6H,1H3;5*1-2H3
InChIKeyNHWFIUFUTAESEA-UHFFFAOYSA-N
XLogP45.77
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002014.84
LogP ≤ 545.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene with MolForge

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Related Compounds

N,N-bis(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N,N-bis(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;N,N-bis[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine
CID 163475552
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
CID 170033343
4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
CID 163459779
3-N-(4-dibenzofuran-4-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine;5-N-(4-dibenzofuran-4-ylphenyl)-5-N-phenyl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine;3-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N-triphenyl-1-N,5-N-bis[4-(4-phenylphenyl)phenyl]benzene-1,3,5-triamine;3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,5-N-bis(3-methylphenyl)-3-N-naphthalen-1-yl-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 157265511
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
N,N-bis(4-dibenzofuran-2-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)phenanthren-4-amine
CID 160723829
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
CID 170278959
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine
CID 159699193
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
CID 163685896

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene?
The IUPAC name of ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene (CID 159785263) is ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene.
What is the SMILES notation for ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene?
The canonical SMILES for ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene is CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1.c1ccc(-c2cc3ccccc3c3c2sc2ccccc23)cc1.c1ccc(-c2cccc3c2oc2ccc4ccccc4c23)cc1.c1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene?
The InChIKey is NHWFIUFUTAESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14O.C22H14S.C18H12O.C18H12S.5C7H8.5C2H6/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)23-22(19)21;1-2-7-15(8-3-1)18-11-6-12-19-21-17-10-5-4-9-16(17)13-14-20(21)23-22(18)19;1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)23-22(19)21;2*1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16;5*1-7-5-3-2-4-6-7;5*1-2/h3*1-14H;2*1-12H;5*2-6H,1H3;5*1-2H3.
What are the key properties of ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene?
ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene has a molecular weight of 2014.84 g/mol, XLogP of 45.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyldibenzofuran;4-phenyldibenzothiophene;6-phenylnaphtho[2,1-b][1]benzofuran;8-phenylnaphtho[2,1-b][1]benzofuran;6-phenylnaphtho[2,1-b][1]benzothiole;toluene is sourced from PubChem (CID 159785263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).