benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole

C246H354N10OS22Se — CID 161086661

IUPACbenzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole
SMILESC/C=C/c1ccc(C)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cc2c(C)c3sc(C)cc3c(C)c2s1.Cc1cc2c(C)sc(C)c2s1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)[se]1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1nc2sc(C)c(C)c2s1.Cc1nc2sc(C)nc2s1.Cc1sc(C)c2ccccc12.Cc1sc(C)c2nccnc12.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(sc3c(C)c(C)sc32)c1C.Cc1sc2c3sc(C)c(C)c3n(C)c2c1C.Cn1c2ccccc2c2ccccc21.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C15H14.C14H14S2.C13H15NS2.C13H11N.C12H12S3.C10H10S2.C10H12S2.C10H10S.C10H8.C10H12.C9H10S2.C9H8S.C8H8N2S.C8H9NS2.C7H11N.C7H9N.C6H6N2S2.C6H8O.C6H8S.C6H8Se.C6H6.C5H7NS.23C2H6/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-7-5-11-9(3)14-12(6-8(2)16-14)10(4)13(11)15-7;1-6-8(3)15-12-10(6)14(5)11-7(2)9(4)16-13(11)12;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-5-7(3)13-11-9(5)15-10-6(2)8(4)14-12(10)11;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-10-7-5-9(2)6-8-10;1-5-4-8-6(2)11-7(3)9(8)10-5;1-7-6-8-4-2-3-5-9(8)10-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-4-5(2)10-8-7(4)11-6(3)9-8;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-3-7-5-6(9-3)8-4(2)10-5;3*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;1-4-3-6-5(2)7-4;23*1-2/h3-10H,1-2H3;5-6H,1-4H3;1-5H3;2-9H,1H3;1-4H3;3-6H,1-2H3;1-4H3;3-6H,1-2H3;1-8H;3-8H,1-2H3;4H,1-3H3;2-6H,1H3;3-4H,1-2H3;1-3H3;4-5H,1-3H3;3-5H,1-2H3;1-2H3;3*3-4H,1-2H3;1-6H;3H,1-2H3;23*1-2H3/b;;;;;;;;;4-3+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUGPKUGLNRMRSRQ-YQDQYDBMSA-N
MW4252.04 g/mol
LogP91.52
Rot. Bonds2

About benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole

benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole (PubChem CID 161086661) has the molecular formula C246H354N10OS22Se and a molecular weight of 4252.04 g/mol. Its IUPAC name is benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Namebenzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole
PubChem CID161086661
Molecular FormulaC246H354N10OS22Se
Molecular Weight4252.04 g/mol
Exact Mass4248.10
IUPAC Namebenzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole
SMILESC/C=C/c1ccc(C)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cc2c(C)c3sc(C)cc3c(C)c2s1.Cc1cc2c(C)sc(C)c2s1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)[se]1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1nc2sc(C)c(C)c2s1.Cc1nc2sc(C)nc2s1.Cc1sc(C)c2ccccc12.Cc1sc(C)c2nccnc12.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(sc3c(C)c(C)sc32)c1C.Cc1sc2c3sc(C)c(C)c3n(C)c2c1C.Cn1c2ccccc2c2ccccc21.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C15H14.C14H14S2.C13H15NS2.C13H11N.C12H12S3.C10H10S2.C10H12S2.C10H10S.C10H8.C10H12.C9H10S2.C9H8S.C8H8N2S.C8H9NS2.C7H11N.C7H9N.C6H6N2S2.C6H8O.C6H8S.C6H8Se.C6H6.C5H7NS.23C2H6/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-7-5-11-9(3)14-12(6-8(2)16-14)10(4)13(11)15-7;1-6-8(3)15-12-10(6)14(5)11-7(2)9(4)16-13(11)12;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-5-7(3)13-11-9(5)15-10-6(2)8(4)14-12(10)11;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-10-7-5-9(2)6-8-10;1-5-4-8-6(2)11-7(3)9(8)10-5;1-7-6-8-4-2-3-5-9(8)10-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-4-5(2)10-8-7(4)11-6(3)9-8;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-3-7-5-6(9-3)8-4(2)10-5;3*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;1-4-3-6-5(2)7-4;23*1-2/h3-10H,1-2H3;5-6H,1-4H3;1-5H3;2-9H,1H3;1-4H3;3-6H,1-2H3;1-4H3;3-6H,1-2H3;1-8H;3-8H,1-2H3;4H,1-3H3;2-6H,1H3;3-4H,1-2H3;1-3H3;4-5H,1-3H3;3-5H,1-2H3;1-2H3;3*3-4H,1-2H3;1-6H;3H,1-2H3;23*1-2H3/b;;;;;;;;;4-3+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUGPKUGLNRMRSRQ-YQDQYDBMSA-N
XLogP91.52
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds2
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004252.04
LogP ≤ 591.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole?
The IUPAC name of benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole (CID 161086661) is benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole.
What is the SMILES notation for benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole?
The canonical SMILES for benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole is C/C=C/c1ccc(C)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cc2c(C)c3sc(C)cc3c(C)c2s1.Cc1cc2c(C)sc(C)c2s1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)[se]1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1nc2sc(C)c(C)c2s1.Cc1nc2sc(C)nc2s1.Cc1sc(C)c2ccccc12.Cc1sc(C)c2nccnc12.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(sc3c(C)c(C)sc32)c1C.Cc1sc2c3sc(C)c(C)c3n(C)c2c1C.Cn1c2ccccc2c2ccccc21.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole?
The InChIKey is UGPKUGLNRMRSRQ-YQDQYDBMSA-N. The full InChI is InChI=1S/C15H14.C14H14S2.C13H15NS2.C13H11N.C12H12S3.C10H10S2.C10H12S2.C10H10S.C10H8.C10H12.C9H10S2.C9H8S.C8H8N2S.C8H9NS2.C7H11N.C7H9N.C6H6N2S2.C6H8O.C6H8S.C6H8Se.C6H6.C5H7NS.23C2H6/c1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-7-5-11-9(3)14-12(6-8(2)16-14)10(4)13(11)15-7;1-6-8(3)15-12-10(6)14(5)11-7(2)9(4)16-13(11)12;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-5-7(3)13-11-9(5)15-10-6(2)8(4)14-12(10)11;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-2-6-10-8-4-3-7-9(10)5-1;1-3-4-10-7-5-9(2)6-8-10;1-5-4-8-6(2)11-7(3)9(8)10-5;1-7-6-8-4-2-3-5-9(8)10-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-4-5(2)10-8-7(4)11-6(3)9-8;1-6-4-5-7(2)8(6)3;1-6-3-4-7(2)8-5-6;1-3-7-5-6(9-3)8-4(2)10-5;3*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;1-4-3-6-5(2)7-4;23*1-2/h3-10H,1-2H3;5-6H,1-4H3;1-5H3;2-9H,1H3;1-4H3;3-6H,1-2H3;1-4H3;3-6H,1-2H3;1-8H;3-8H,1-2H3;4H,1-3H3;2-6H,1H3;3-4H,1-2H3;1-3H3;4-5H,1-3H3;3-5H,1-2H3;1-2H3;3*3-4H,1-2H3;1-6H;3H,1-2H3;23*1-2H3/b;;;;;;;;;4-3+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole?
benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole has a molecular weight of 4252.04 g/mol, XLogP of 91.52, 2 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-dimethyl-2-benzothiophene;9,9-dimethylfluorene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethyl-1,3-thiazole;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;5,7-dimethylthieno[3,4-b]pyrazine;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;9-methylcarbazole;2-methyl-5-(5-methylthiophen-2-yl)thiophene;1-methyl-4-[(E)-prop-1-enyl]benzene;naphthalene;4,5,7,9,10-pentamethyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;4,5,9,10-tetramethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;1,2,5-trimethylpyrrole;2,4,6-trimethylthieno[2,3-c]thiophene;2,5,6-trimethylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 161086661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).