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

C140H119NO2S2 — CID 159801697

IUPAC9-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
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H20.C16H16.C13H11N.2C13H10O.2C13H10S.2C13H12.C7H8/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h2-18H,1H3;4-10H,1-3H3;2-9H,1H3;4*2-8H,1H3;2*2-10H,1H3;2-6H,1H3
InChIKeyNJWITVCQJSIEFZ-UHFFFAOYSA-N
MW1911.63 g/mol
LogP39.82
Rot. Bonds4

About 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

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 (PubChem CID 159801697) has the molecular formula C140H119NO2S2 and a molecular weight of 1911.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID159801697
Molecular FormulaC140H119NO2S2
Molecular Weight1911.63 g/mol
Exact Mass1909.87
IUPAC Name9-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
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H20.C16H16.C13H11N.2C13H10O.2C13H10S.2C13H12.C7H8/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h2-18H,1H3;4-10H,1-3H3;2-9H,1H3;4*2-8H,1H3;2*2-10H,1H3;2-6H,1H3
InChIKeyNJWITVCQJSIEFZ-UHFFFAOYSA-N
XLogP39.82
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001911.63
LogP ≤ 539.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 162012575
2,8-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;2,7-dimethyl-9,9-diphenylfluorene;2,7,9,9-tetramethylfluorene
CID 158112423
2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;1,2,4,5-tetramethylbenzene;N,N,4-trimethylaniline;1,3,5-trimethylbenzene;2,5,7-trimethylindolo[2,3-b]carbazole;1,3-xylene;1,4-xylene
CID 157058591
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;methane
CID 162027181
1,8-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;1,8-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;2,7-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480425
2-methyldibenzofuran;2-methyldibenzothiophene;1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2-(3-methylphenyl)triphenylene;2-(4-methylphenyl)triphenylene;1-methyltriphenylene;2-methyltriphenylene
CID 161470494
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 161432391
3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene
CID 158033812
2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;2-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158418392
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158039277

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 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?
The InChIKey is NJWITVCQJSIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.C16H16.C13H11N.2C13H10O.2C13H10S.2C13H12.C7H8/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h2-18H,1H3;4-10H,1-3H3;2-9H,1H3;4*2-8H,1H3;2*2-10H,1H3;2-6H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1911.63 g/mol, XLogP of 39.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159801697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).