1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene

C110H102N2O3S3 — CID 161433586

IUPAC1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene
SMILESCOc1ccc(C)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccoc1.Cc1ccsc1.Cc1cn(-c2ccccc2)c2ccccc12.Cc1csc2ccccc12
InChIInChI=1S/C19H15N.C16H16.C15H13N.C13H10O.C13H10S.C9H8S.C8H10O.C7H8.C5H6O.C5H6S/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-7-6-10-9-5-3-2-4-8(7)9;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;2*1-5-2-3-6-4-5/h2-13H,1H3;4-10H,1-3H3;2-11H,1H3;2*2-8H,1H3;2-6H,1H3;3-6H,1-2H3;2-6H,1H3;2*2-4H,1H3
InChIKeyVYINNLFMLPXTJP-UHFFFAOYSA-N
MW1596.24 g/mol
LogP32.44
Rot. Bonds3

About 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene

1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene (PubChem CID 161433586) has the molecular formula C110H102N2O3S3 and a molecular weight of 1596.24 g/mol. Its IUPAC name is 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene.

Molecular Properties

Compound Name1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene
PubChem CID161433586
Molecular FormulaC110H102N2O3S3
Molecular Weight1596.24 g/mol
Exact Mass1594.71
IUPAC Name1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene
SMILESCOc1ccc(C)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccoc1.Cc1ccsc1.Cc1cn(-c2ccccc2)c2ccccc12.Cc1csc2ccccc12
InChIInChI=1S/C19H15N.C16H16.C15H13N.C13H10O.C13H10S.C9H8S.C8H10O.C7H8.C5H6O.C5H6S/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-7-6-10-9-5-3-2-4-8(7)9;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;2*1-5-2-3-6-4-5/h2-13H,1H3;4-10H,1-3H3;2-11H,1H3;2*2-8H,1H3;2-6H,1H3;3-6H,1-2H3;2-6H,1H3;2*2-4H,1H3
InChIKeyVYINNLFMLPXTJP-UHFFFAOYSA-N
XLogP32.44
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.24
LogP ≤ 532.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene with MolForge

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Related Compounds

[2-[3-[2,2-Bis(trimethylsilyl)ethyl]-2-tert-butylphenyl]-1-trimethylsilylethyl]-trimethylsilane;bis(1-tert-butylcyclopenta-1,3-diene);[2-[2-tert-butyl-3-[1,1-dideuterio-2,2-bis(trimethylsilyl)ethyl]phenyl]-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;tetrakis(2-tert-butyl-1,3-dimethylbenzene);3-tert-butylfuran;tetrakis(1-tert-butyl-2-methylbenzene);[2-(2-tert-butyl-3-methylphenyl)-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;[2-(2-tert-butyl-3-methylphenyl)-1-trimethylsilylethyl]-trimethylsilane;2-tert-butyl-1-methyl-3-(trifluoromethyl)benzene;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;(2-tert-butylphenyl)-trimethylsilane;3-tert-butylthiophene;1-tert-butyl-2-(trifluoromethyl)benzene;(2-tert-butyl-3-trimethylsilylphenyl)-trimethylsilane;1,2,3,5-tetradeuterio-4-(2,3-ditert-butylphenyl)-6-methylbenzene
CID 157837483
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
(9-Ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
CID 165010789
Bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
CID 167631421
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[8-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 57653808
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
7-Phenyl-2,10-bis(8-phenyldibenzofuran-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 57997602
9-[4-[4-(3-dibenzofuran-2-yl-9H-fluoren-9-yl)phenyl]phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 57997668
3-Dibenzofuran-2-yl-9-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 57997670
3-Dibenzofuran-2-yl-9-[8-(3-dibenzofuran-2-ylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 57997703

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
The IUPAC name of 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene (CID 161433586) is 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene.
What is the SMILES notation for 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
The canonical SMILES for 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene is COc1ccc(C)cc1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccoc1.Cc1ccsc1.Cc1cn(-c2ccccc2)c2ccccc12.Cc1csc2ccccc12.
What is the InChIKey of 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
The InChIKey is VYINNLFMLPXTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C16H16.C15H13N.C13H10O.C13H10S.C9H8S.C8H10O.C7H8.C5H6O.C5H6S/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-7-6-10-9-5-3-2-4-8(7)9;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;2*1-5-2-3-6-4-5/h2-13H,1H3;4-10H,1-3H3;2-11H,1H3;2*2-8H,1H3;2-6H,1H3;3-6H,1-2H3;2-6H,1H3;2*2-4H,1H3.
What are the key properties of 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene?
1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene has a molecular weight of 1596.24 g/mol, XLogP of 32.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbenzene;3-methyl-1-benzothiophene;4-methyldibenzofuran;4-methyldibenzothiophene;3-methylfuran;9-(4-methylphenyl)carbazole;3-methyl-1-phenylindole;3-methylthiophene;toluene;2,9,9-trimethylfluorene is sourced from PubChem (CID 161433586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).