benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene

C176H188N4O2S2 — CID 159524203

IUPACbenzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1
InChIInChI=1S/4C13H11N.2C12H8O.2C12H8S.8C7H8.C6H6.7C2H6/c4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;7*1-2/h4*2-9H,1H3;4*1-8H;8*2-6H,1H3;1-6H;7*1-2H3
InChIKeyMCEKZTUKKDXPQF-UHFFFAOYSA-N
MW2455.60 g/mol
LogP53.44
Rot. Bonds

About benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene

benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene (PubChem CID 159524203) has the molecular formula C176H188N4O2S2 and a molecular weight of 2455.60 g/mol. Its IUPAC name is benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene.

Molecular Properties

Compound Namebenzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene
PubChem CID159524203
Molecular FormulaC176H188N4O2S2
Molecular Weight2455.60 g/mol
Exact Mass2453.42
IUPAC Namebenzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1
InChIInChI=1S/4C13H11N.2C12H8O.2C12H8S.8C7H8.C6H6.7C2H6/c4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;7*1-2/h4*2-9H,1H3;4*1-8H;8*2-6H,1H3;1-6H;7*1-2H3
InChIKeyMCEKZTUKKDXPQF-UHFFFAOYSA-N
XLogP53.44
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002455.60
LogP ≤ 553.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

dibenzofuran;dibenzothiophene;ethane;9-methylcarbazole;propane
CID 158580850
tetrakis(dibenzofuran);tris(dibenzothiophene);ethane;toluene
CID 158105670
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
tetrakis(dibenzofuran);tetrakis(dibenzothiophene);ethane;methylcyclohexane;toluene
CID 160620616
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
benzene;bis(1,1'-biphenyl);2-tert-butyl-1,3-benzothiazole;9-tert-butylcarbazole;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;octakis(2,2-dimethylpropane);ethane;methane;9-methylcarbazole;naphthalene;toluene
CID 163590428
dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;ethane;tetrakis(N'-ethyl-N,N,N'-trimethylmethanediamine);pentakis(9-methylcarbazole)
CID 159478524
11-dibenzofuran-2-yl-5-methylindolo[3,2-b]carbazole;11-dibenzothiophen-2-yl-5-methylindolo[3,2-b]carbazole;5-methyl-11-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;5-methyl-11-pyridin-4-ylindolo[3,2-b]carbazole
CID 162098445
3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 167592559
3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;ethane;methane;naphthalene;2,7,9-trimethylcarbazole
CID 159408346
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655

Frequently Asked Questions

What is the IUPAC name of benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene?
The IUPAC name of benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene (CID 159524203) is benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene.
What is the SMILES notation for benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene?
The canonical SMILES for benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene is CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1.
What is the InChIKey of benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene?
The InChIKey is MCEKZTUKKDXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H11N.2C12H8O.2C12H8S.8C7H8.C6H6.7C2H6/c4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;7*1-2/h4*2-9H,1H3;4*1-8H;8*2-6H,1H3;1-6H;7*1-2H3.
What are the key properties of benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene?
benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene has a molecular weight of 2455.60 g/mol, XLogP of 53.44, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene is sourced from PubChem (CID 159524203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).