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

C185H267N3OS2 — CID 163590428

IUPACbenzene;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
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)n1c2ccccc2c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C16H17N.C15H14.C13H11N.C12H8O.C12H8S.2C12H10.C11H13NS.C10H8.C7H8.C6H6.8C5H12.9C2H6.CH4/c1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;8*1-5(2,3)4;9*1-2;/h4-11H,1-3H3;3-10H,1-2H3;2-9H,1H3;2*1-8H;2*1-10H;4-7H,1-3H3;1-8H;2-6H,1H3;1-6H;8*1-4H3;9*1-2H3;1H4
InChIKeyGPCGKVFQKOIXSG-UHFFFAOYSA-N
MW2613.32 g/mol
LogP62.63
Rot. Bonds2

About 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

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 (PubChem CID 163590428) has the molecular formula C185H267N3OS2 and a molecular weight of 2613.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzene;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
PubChem CID163590428
Molecular FormulaC185H267N3OS2
Molecular Weight2613.32 g/mol
Exact Mass2611.04
IUPAC Namebenzene;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
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)n1c2ccccc2c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C16H17N.C15H14.C13H11N.C12H8O.C12H8S.2C12H10.C11H13NS.C10H8.C7H8.C6H6.8C5H12.9C2H6.CH4/c1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;8*1-5(2,3)4;9*1-2;/h4-11H,1-3H3;3-10H,1-2H3;2-9H,1H3;2*1-8H;2*1-10H;4-7H,1-3H3;1-8H;2-6H,1H3;1-6H;8*1-4H3;9*1-2H3;1H4
InChIKeyGPCGKVFQKOIXSG-UHFFFAOYSA-N
XLogP62.63
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms191
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002613.32
LogP ≤ 562.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene
CID 159524203
dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;ethane;tetrakis(N'-ethyl-N,N,N'-trimethylmethanediamine);pentakis(9-methylcarbazole)
CID 159478524
2-dibenzofuran-3-yl-9-methylcarbazole;3-dibenzofuran-2-yl-9-methylcarbazole;2-dibenzothiophen-3-yl-9-methylcarbazole;3-dibenzothiophen-2-yl-9-methylcarbazole;2-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-methylcarbazole
CID 157082395
benzene;cumene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;ethane;1,2,3,4,6,7-hexadeuterio-5-(2,3,5,6-tetradeuterio-4-propan-2-ylphenyl)naphthalene;hexakis(2-methylpropane);1,2,3,4,5-pentadeuterio-6-phenylbenzene;9-phenylcarbazole;toluene
CID 165041443
1,1'-biphenyl;bis(tert-butylbenzene);dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;icosakis(2,2-dimethylpropane);ethane;naphthalene;phenanthrene;1,10-phenanthroline;spiro[cyclohexane-1,9'-fluorene];spiro[cyclopentane-1,9'-fluorene]
CID 164966351
1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene
CID 165018509
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
CID 159844636
dibenzofuran;dibenzothiophene;ethane;9-methylcarbazole;propane
CID 158580850
7-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole;7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 159655404
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9,9-diphenylfluorene;1-methyl-2-phenylbenzene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 159801697

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)n1c2ccccc2c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of 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?
The InChIKey is GPCGKVFQKOIXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.C15H14.C13H11N.C12H8O.C12H8S.2C12H10.C11H13NS.C10H8.C7H8.C6H6.8C5H12.9C2H6.CH4/c1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;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;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;8*1-5(2,3)4;9*1-2;/h4-11H,1-3H3;3-10H,1-2H3;2-9H,1H3;2*1-8H;2*1-10H;4-7H,1-3H3;1-8H;2-6H,1H3;1-6H;8*1-4H3;9*1-2H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 2613.32 g/mol, XLogP of 62.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163590428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).