benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene

C233H345N9O2S — CID 157078199

IUPACbenzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene
SMILESC.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.CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccccc1.O=C1c2ccccc2-c2ccccc21.[H][H].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C13H8O.C13H10.C12H9N.C12H8O.C12H8S.2C12H10.C10H8.C9H7N.C7H8.3C6H6.7C5H5N.C3H8.32C2H6.CH4.H2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*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;1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;10*1-2-4-6-5-3-1;1-3-2;32*1-2;;/h1-8H;1-8H,9H2;1-8,13H;2*1-8H;2*1-10H;1-8H;1-7H;2-6H,1H3;3*1-6H;7*1-5H;3H2,1-2H3;32*1-2H3;1H4;1H
InChIKeyADFMRLZUNPJUTB-UHFFFAOYSA-N
MW3336.45 g/mol
LogP78.66
Rot. Bonds2

About benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene

benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene (PubChem CID 157078199) has the molecular formula C233H345N9O2S and a molecular weight of 3336.45 g/mol. Its IUPAC name is benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene.

Molecular Properties

Compound Namebenzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene
PubChem CID157078199
Molecular FormulaC233H345N9O2S
Molecular Weight3336.45 g/mol
Exact Mass3333.69
IUPAC Namebenzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene
SMILESC.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.CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccccc1.O=C1c2ccccc2-c2ccccc21.[H][H].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C13H8O.C13H10.C12H9N.C12H8O.C12H8S.2C12H10.C10H8.C9H7N.C7H8.3C6H6.7C5H5N.C3H8.32C2H6.CH4.H2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*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;1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;10*1-2-4-6-5-3-1;1-3-2;32*1-2;;/h1-8H;1-8H,9H2;1-8,13H;2*1-8H;2*1-10H;1-8H;1-7H;2-6H,1H3;3*1-6H;7*1-5H;3H2,1-2H3;32*1-2H3;1H4;1H
InChIKeyADFMRLZUNPJUTB-UHFFFAOYSA-N
XLogP78.66
TPSA149.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003336.45
LogP ≤ 578.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene?
The IUPAC name of benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene (CID 157078199) is benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene.
What is the SMILES notation for benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene?
The canonical SMILES for benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene is C.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.CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccccc1.O=C1c2ccccc2-c2ccccc21.[H][H].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene?
The InChIKey is ADFMRLZUNPJUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C13H10.C12H9N.C12H8O.C12H8S.2C12H10.C10H8.C9H7N.C7H8.3C6H6.7C5H5N.C3H8.32C2H6.CH4.H2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*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;1-2-6-9-8(4-1)5-3-7-10-9;1-7-5-3-2-4-6-7;10*1-2-4-6-5-3-1;1-3-2;32*1-2;;/h1-8H;1-8H,9H2;1-8,13H;2*1-8H;2*1-10H;1-8H;1-7H;2-6H,1H3;3*1-6H;7*1-5H;3H2,1-2H3;32*1-2H3;1H4;1H.
What are the key properties of benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene?
benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene has a molecular weight of 3336.45 g/mol, XLogP of 78.66, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene is sourced from PubChem (CID 157078199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).