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

C57H74O — CID 144613065

IUPAC3,4-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
SMILESC/C=C\c1c(C)oc(C)c1/C(C)=C\CC.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC.CC/C(C)=C(/C)c1ccccc1C.Cc1ccccc1
InChIInChI=1S/C21H22.C14H20O.C13H18.C7H8.C2H6/c1-7-15-14(4)12-19-20(16(15)8-2)17-10-9-13(3)11-18(17)21(19,5)6;1-6-8-10(3)14-12(5)15-11(4)13(14)9-7-2;1-5-10(2)12(4)13-9-7-6-8-11(13)3;1-7-5-3-2-4-6-7;1-2/h7-12H,1-2H2,3-6H3;7-9H,6H2,1-5H3;6-9H,5H2,1-4H3;2-6H,1H3;1-2H3/b;9-7-,10-8-;12-10-;;
InChIKeyOIRYKECSHLDERA-QYONTDSLSA-N
MW775.22 g/mol
LogP17.86
Rot. Bonds7

About 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

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 (PubChem CID 144613065) has the molecular formula C57H74O and a molecular weight of 775.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID144613065
Molecular FormulaC57H74O
Molecular Weight775.22 g/mol
Exact Mass774.57
IUPAC Name3,4-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
SMILESC/C=C\c1c(C)oc(C)c1/C(C)=C\CC.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC.CC/C(C)=C(/C)c1ccccc1C.Cc1ccccc1
InChIInChI=1S/C21H22.C14H20O.C13H18.C7H8.C2H6/c1-7-15-14(4)12-19-20(16(15)8-2)17-10-9-13(3)11-18(17)21(19,5)6;1-6-8-10(3)14-12(5)15-11(4)13(14)9-7-2;1-5-10(2)12(4)13-9-7-6-8-11(13)3;1-7-5-3-2-4-6-7;1-2/h7-12H,1-2H2,3-6H3;7-9H,6H2,1-5H3;6-9H,5H2,1-4H3;2-6H,1H3;1-2H3/b;9-7-,10-8-;12-10-;;
InChIKeyOIRYKECSHLDERA-QYONTDSLSA-N
XLogP17.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.22
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene
CID 144612942
7-[(2Z,3E,5E)-3-cyclopropyl-4-ethyl-2-ethylidene-6-methyl-5-[(Z)-prop-1-enyl]octa-3,5,7-trienyl]-3,4-bis(ethenyl)-2,9,9-trimethylfluorene;ethane;1-methyl-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene;toluene
CID 144613528
3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
CID 144614661
3,4-bis(ethenyl)-2,7,9,9-tetramethylfluorene;1-tert-butyl-4-methylbenzene;(3E,5E,7Z)-5,7-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene;ethane;2-fluoro-1-methyl-3-phenylbenzene;(3Z)-3-methylhexa-1,3,5-triene
CID 144613867
(1Z,3E)-4-N-[5,6-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]-4-N-[(2Z,4E)-hepta-2,4-dien-4-yl]penta-1,3-diene-1,4-diamine;1-butyl-2-[(3Z)-4-ethyl-3-methylhexa-1,3,5-trien-2-yl]benzene;toluene
CID 144614486
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
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
CID 20593657
3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene
CID 144614640
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948
3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine
CID 144613666
2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine
CID 134199118

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\c1c(C)oc(C)c1/C(C)=C\CC.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC.CC/C(C)=C(/C)c1ccccc1C.Cc1ccccc1.
What is the InChIKey of 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?
The InChIKey is OIRYKECSHLDERA-QYONTDSLSA-N. The full InChI is InChI=1S/C21H22.C14H20O.C13H18.C7H8.C2H6/c1-7-15-14(4)12-19-20(16(15)8-2)17-10-9-13(3)11-18(17)21(19,5)6;1-6-8-10(3)14-12(5)15-11(4)13(14)9-7-2;1-5-10(2)12(4)13-9-7-6-8-11(13)3;1-7-5-3-2-4-6-7;1-2/h7-12H,1-2H2,3-6H3;7-9H,6H2,1-5H3;6-9H,5H2,1-4H3;2-6H,1H3;1-2H3/b;9-7-,10-8-;12-10-;;.
What are the key properties of 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?
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 has a molecular weight of 775.22 g/mol, XLogP of 17.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144613065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).