2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene

C60H66S — CID 144613484

IUPAC2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
SMILESC=Cc1sc2ccc(C)cc2c1/C=C\C.CC.Cc1ccc(C)c(-c2cc(C)ccc2C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1
InChIInChI=1S/C21H20.C16H18.C14H14S.C7H8.C2H6/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4;1-4-6-11-12-9-10(3)7-8-14(12)15-13(11)5-2;1-7-5-3-2-4-6-7;1-2/h5-12H,1-4H3;5-10H,1-4H3;4-9H,2H2,1,3H3;2-6H,1H3;1-2H3/b;;6-4-;;
InChIKeyKUTMPYQVWXSNQH-WMMVKIBCSA-N
MW819.25 g/mol
LogP18.26
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene

2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene (PubChem CID 144613484) has the molecular formula C60H66S and a molecular weight of 819.25 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
PubChem CID144613484
Molecular FormulaC60H66S
Molecular Weight819.25 g/mol
Exact Mass818.49
IUPAC Name2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
SMILESC=Cc1sc2ccc(C)cc2c1/C=C\C.CC.Cc1ccc(C)c(-c2cc(C)ccc2C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1
InChIInChI=1S/C21H20.C16H18.C14H14S.C7H8.C2H6/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4;1-4-6-11-12-9-10(3)7-8-14(12)15-13(11)5-2;1-7-5-3-2-4-6-7;1-2/h5-12H,1-4H3;5-10H,1-4H3;4-9H,2H2,1,3H3;2-6H,1H3;1-2H3/b;;6-4-;;
InChIKeyKUTMPYQVWXSNQH-WMMVKIBCSA-N
XLogP18.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.25
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene with MolForge

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Related Compounds

2,3-bis(ethenyl)-5-propan-2-yl-1-benzothiophene;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-(2-methyl-5-phenylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144614635
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613972
10,10-dimethyl-7-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;ethane
CID 145441868
2,5-dimethyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 174370194
2,4-diphenyl-6-(5,7,7-trimethylbenzo[g]fluoren-9-yl)-1,3,5-triazine
CID 169290945
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
3,4-bis(ethenyl)-2,7,9,9-tetramethylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-2-[(Z)-3-methylpent-2-en-2-yl]benzene;toluene
CID 144613065
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
CID 144614661
4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene
CID 144612864

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene (CID 144613484) is 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene is C=Cc1sc2ccc(C)cc2c1/C=C\C.CC.Cc1ccc(C)c(-c2cc(C)ccc2C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The InChIKey is KUTMPYQVWXSNQH-WMMVKIBCSA-N. The full InChI is InChI=1S/C21H20.C16H18.C14H14S.C7H8.C2H6/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4;1-4-6-11-12-9-10(3)7-8-14(12)15-13(11)5-2;1-7-5-3-2-4-6-7;1-2/h5-12H,1-4H3;5-10H,1-4H3;4-9H,2H2,1,3H3;2-6H,1H3;1-2H3/b;;6-4-;;.
What are the key properties of 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene has a molecular weight of 819.25 g/mol, XLogP of 18.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene is sourced from PubChem (CID 144613484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).