1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene

C186H159NO2S — CID 163577037

IUPAC1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene
SMILESCOc1ccccc1C.Cc1ccccc1-c1cc2c(cc1C)-c1ccccc1C2(C)C.Cc1ccccc1-c1cc2c(cc1C)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.Cc1ccccc1-c1cc2c(cc1C)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1ccccc1.Cc1ccccc1-c1cc2oc3ccccc3c2cc1C.Cc1ccccc1-c1cc2sc3ccccc3c2cc1C
InChIInChI=1S/2C33H26.C26H21N.2C23H22.C20H16O.C20H16S.C8H10O/c1-23-13-9-10-18-27(23)29-22-30-28-19-11-12-20-31(28)33(32(30)21-24(29)2,25-14-5-3-6-15-25)26-16-7-4-8-17-26;1-23-13-9-10-18-27(23)29-22-32-30(21-24(29)2)28-19-11-12-20-31(28)33(32,25-14-5-3-6-15-25)26-16-7-4-8-17-26;1-18-10-6-7-13-21(18)23-17-26-24(16-19(23)2)22-14-8-9-15-25(22)27(26)20-11-4-3-5-12-20;1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-15-9-5-6-10-17(15)19-14-22-20(13-16(19)2)18-11-7-8-12-21(18)23(22,3)4;2*1-13-7-3-4-8-15(13)17-12-20-18(11-14(17)2)16-9-5-6-10-19(16)21-20;1-7-5-3-4-6-8(7)9-2/h2*3-22H,1-2H3;3-17H,1-2H3;2*5-14H,1-4H3;2*3-12H,1-2H3;3-6H,1-2H3
InChIKeyGEJOYGCUDRCSAM-UHFFFAOYSA-N
MW2472.39 g/mol
LogP50.50
Rot. Bonds13

About 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene

1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene (PubChem CID 163577037) has the molecular formula C186H159NO2S and a molecular weight of 2472.39 g/mol. Its IUPAC name is 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene.

Molecular Properties

Compound Name1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene
PubChem CID163577037
Molecular FormulaC186H159NO2S
Molecular Weight2472.39 g/mol
Exact Mass2470.21
IUPAC Name1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene
SMILESCOc1ccccc1C.Cc1ccccc1-c1cc2c(cc1C)-c1ccccc1C2(C)C.Cc1ccccc1-c1cc2c(cc1C)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.Cc1ccccc1-c1cc2c(cc1C)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1ccccc1.Cc1ccccc1-c1cc2oc3ccccc3c2cc1C.Cc1ccccc1-c1cc2sc3ccccc3c2cc1C
InChIInChI=1S/2C33H26.C26H21N.2C23H22.C20H16O.C20H16S.C8H10O/c1-23-13-9-10-18-27(23)29-22-30-28-19-11-12-20-31(28)33(32(30)21-24(29)2,25-14-5-3-6-15-25)26-16-7-4-8-17-26;1-23-13-9-10-18-27(23)29-22-32-30(21-24(29)2)28-19-11-12-20-31(28)33(32,25-14-5-3-6-15-25)26-16-7-4-8-17-26;1-18-10-6-7-13-21(18)23-17-26-24(16-19(23)2)22-14-8-9-15-25(22)27(26)20-11-4-3-5-12-20;1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-15-9-5-6-10-17(15)19-14-22-20(13-16(19)2)18-11-7-8-12-21(18)23(22,3)4;2*1-13-7-3-4-8-15(13)17-12-20-18(11-14(17)2)16-9-5-6-10-19(16)21-20;1-7-5-3-4-6-8(7)9-2/h2*3-22H,1-2H3;3-17H,1-2H3;2*5-14H,1-4H3;2*3-12H,1-2H3;3-6H,1-2H3
InChIKeyGEJOYGCUDRCSAM-UHFFFAOYSA-N
XLogP50.50
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002472.39
LogP ≤ 550.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene with MolForge

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Related Compounds

2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546032
10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 145018196
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
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
11-dibenzofuran-2-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzofuran-3-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzothiophen-2-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzothiophen-3-yl-[1]benzothiolo[3,2-b]carbazole;11-(9,9-dimethylfluoren-3-yl)-[1]benzothiolo[3,2-b]carbazole
CID 160576509
2-[5-(9,9-dimethylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[7,7-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159407034
[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 161147090
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;7-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzothiolo[2,3-b]carbazole;2-phenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 161081174
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349
11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 161341820
2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;2,7-dimethyl-9-phenylcarbazole;3,6-dimethyl-9-phenylcarbazole;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 159765295

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene?
The IUPAC name of 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene (CID 163577037) is 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene.
What is the SMILES notation for 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene?
The canonical SMILES for 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene is COc1ccccc1C.Cc1ccccc1-c1cc2c(cc1C)-c1ccccc1C2(C)C.Cc1ccccc1-c1cc2c(cc1C)-c1ccccc1C2(c1ccccc1)c1ccccc1.Cc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.Cc1ccccc1-c1cc2c(cc1C)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1ccccc1.Cc1ccccc1-c1cc2oc3ccccc3c2cc1C.Cc1ccccc1-c1cc2sc3ccccc3c2cc1C.
What is the InChIKey of 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene?
The InChIKey is GEJOYGCUDRCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H26.C26H21N.2C23H22.C20H16O.C20H16S.C8H10O/c1-23-13-9-10-18-27(23)29-22-30-28-19-11-12-20-31(28)33(32(30)21-24(29)2,25-14-5-3-6-15-25)26-16-7-4-8-17-26;1-23-13-9-10-18-27(23)29-22-32-30(21-24(29)2)28-19-11-12-20-31(28)33(32,25-14-5-3-6-15-25)26-16-7-4-8-17-26;1-18-10-6-7-13-21(18)23-17-26-24(16-19(23)2)22-14-8-9-15-25(22)27(26)20-11-4-3-5-12-20;1-15-9-5-6-10-17(15)19-14-20-18-11-7-8-12-21(18)23(3,4)22(20)13-16(19)2;1-15-9-5-6-10-17(15)19-14-22-20(13-16(19)2)18-11-7-8-12-21(18)23(22,3)4;2*1-13-7-3-4-8-15(13)17-12-20-18(11-14(17)2)16-9-5-6-10-19(16)21-20;1-7-5-3-4-6-8(7)9-2/h2*3-22H,1-2H3;3-17H,1-2H3;2*5-14H,1-4H3;2*3-12H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene?
1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene has a molecular weight of 2472.39 g/mol, XLogP of 50.50, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene is sourced from PubChem (CID 163577037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).