1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene

C113H175N3OS2 — CID 157212645

IUPAC1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2sccc2c1.c1ccncc1
InChIInChI=1S/C18H15N.C13H11N.C12H8O.C12H8S.C8H6S.C7H8.C5H5N.19C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;19*1-2/h1-15H;2-9H,1H3;2*1-8H;1-6H;2-6H,1H3;1-5H;19*1-2H3
InChIKeyASBDKEUSACJKIB-UHFFFAOYSA-N
MW1655.80 g/mol
LogP41.60
Rot. Bonds3

About 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene

1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene (PubChem CID 157212645) has the molecular formula C113H175N3OS2 and a molecular weight of 1655.80 g/mol. Its IUPAC name is 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene.

Molecular Properties

Compound Name1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene
PubChem CID157212645
Molecular FormulaC113H175N3OS2
Molecular Weight1655.80 g/mol
Exact Mass1654.32
IUPAC Name1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2sccc2c1.c1ccncc1
InChIInChI=1S/C18H15N.C13H11N.C12H8O.C12H8S.C8H6S.C7H8.C5H5N.19C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;19*1-2/h1-15H;2-9H,1H3;2*1-8H;1-6H;2-6H,1H3;1-5H;19*1-2H3
InChIKeyASBDKEUSACJKIB-UHFFFAOYSA-N
XLogP41.60
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001655.80
LogP ≤ 541.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}(thiophen-2-yl)methanone
CID 5043514
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
[1-(2-phenoxyethyl)-1H-indol-3-yl](thiophen-2-yl)methanone
CID 965825
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene?
The IUPAC name of 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene (CID 157212645) is 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene.
What is the SMILES notation for 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene?
The canonical SMILES for 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2sccc2c1.c1ccncc1.
What is the InChIKey of 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene?
The InChIKey is ASBDKEUSACJKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C13H11N.C12H8O.C12H8S.C8H6S.C7H8.C5H5N.19C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;19*1-2/h1-15H;2-9H,1H3;2*1-8H;1-6H;2-6H,1H3;1-5H;19*1-2H3.
What are the key properties of 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene?
1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene has a molecular weight of 1655.80 g/mol, XLogP of 41.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;dibenzofuran;dibenzothiophene;N,N-diphenylaniline;ethane;9-methylcarbazole;pyridine;toluene is sourced from PubChem (CID 157212645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).