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

C185H213NO2S2 — CID 165041443

IUPACbenzene;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
SMILESCC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[2H]c1c([2H])c([2H])c(-c2ccccc2)c([2H])c1[2H].[2H]c1cc2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c(C(C)C)c([2H])c2[2H])c1[2H].c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1
InChIInChI=1S/C19H18.C18H13N.C15H14.2C12H8O.2C12H8S.C12H10.2C9H12.3C7H8.C6H6.6C4H10.2C2H6/c1-14(2)15-10-12-17(13-11-15)19-9-5-7-16-6-3-4-8-18(16)19;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-8(2)9-6-4-3-5-7-9;3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;6*1-4(2)3;2*1-2/h3-14H,1-2H3;1-13H;3-10H,1-2H3;4*1-8H;1-10H;2*3-8H,1-2H3;3*2-6H,1H3;1-6H;6*4H,1-3H3;2*1-2H3/i3D,4D,5D,6D,8D,9D,10D,11D,12D,13D;;;;;;;1D,3D,4D,7D,8D;;;;;;;;;;;;;;
InChIKeyOEPPXWQXAAVGQL-AFDHCYQNSA-N
MW2561.97 g/mol
LogP58.36
Rot. Bonds6

About 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

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 (PubChem CID 165041443) has the molecular formula C185H213NO2S2 and a molecular weight of 2561.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzene;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
PubChem CID165041443
Molecular FormulaC185H213NO2S2
Molecular Weight2561.97 g/mol
Exact Mass2559.70
IUPAC Namebenzene;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
SMILESCC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[2H]c1c([2H])c([2H])c(-c2ccccc2)c([2H])c1[2H].[2H]c1cc2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c(C(C)C)c([2H])c2[2H])c1[2H].c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1
InChIInChI=1S/C19H18.C18H13N.C15H14.2C12H8O.2C12H8S.C12H10.2C9H12.3C7H8.C6H6.6C4H10.2C2H6/c1-14(2)15-10-12-17(13-11-15)19-9-5-7-16-6-3-4-8-18(16)19;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-8(2)9-6-4-3-5-7-9;3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;6*1-4(2)3;2*1-2/h3-14H,1-2H3;1-13H;3-10H,1-2H3;4*1-8H;1-10H;2*3-8H,1-2H3;3*2-6H,1H3;1-6H;6*4H,1-3H3;2*1-2H3/i3D,4D,5D,6D,8D,9D,10D,11D,12D,13D;;;;;;;1D,3D,4D,7D,8D;;;;;;;;;;;;;;
InChIKeyOEPPXWQXAAVGQL-AFDHCYQNSA-N
XLogP58.36
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002561.97
LogP ≤ 558.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene
CID 165094908
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
benzene;hexakis(1,1'-biphenyl);tris(dibenzofuran);9,9-dimethylfluorene;hexakis(N,N-dimethylmethanamine);ethane;furan;bis(9-phenylcarbazole)
CID 160863641
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
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
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-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159640666
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761
7-deuterio-N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(6-deuterio-9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160500090
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
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159748904
12-(4-carbazol-9-ylphenyl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12-(4-dibenzofuran-1-ylphenyl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12-dibenzothiophen-2-yl-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;2-(3,6-dimethylcarbazol-9-yl)-5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole;12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;11-[3-(3-methylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 157097203

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC1(C)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[2H]c1c([2H])c([2H])c(-c2ccccc2)c([2H])c1[2H].[2H]c1cc2c([2H])c([2H])c([2H])c([2H])c2c(-c2c([2H])c([2H])c(C(C)C)c([2H])c2[2H])c1[2H].c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1.
What is the InChIKey of 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?
The InChIKey is OEPPXWQXAAVGQL-AFDHCYQNSA-N. The full InChI is InChI=1S/C19H18.C18H13N.C15H14.2C12H8O.2C12H8S.C12H10.2C9H12.3C7H8.C6H6.6C4H10.2C2H6/c1-14(2)15-10-12-17(13-11-15)19-9-5-7-16-6-3-4-8-18(16)19;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-8(2)9-6-4-3-5-7-9;3*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;6*1-4(2)3;2*1-2/h3-14H,1-2H3;1-13H;3-10H,1-2H3;4*1-8H;1-10H;2*3-8H,1-2H3;3*2-6H,1H3;1-6H;6*4H,1-3H3;2*1-2H3/i3D,4D,5D,6D,8D,9D,10D,11D,12D,13D;;;;;;;1D,3D,4D,7D,8D;;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2561.97 g/mol, XLogP of 58.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165041443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).