2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene

C56H56O — CID 144613327

IUPAC2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
SMILESC=Cc1oc2ccc(C)cc2c1C=C.CCc1ccccc1-c1ccccc1C.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1
InChIInChI=1S/C21H20.C15H16.C13H12O.C7H8/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;1-3-13-9-5-7-11-15(13)14-10-6-4-8-12(14)2;1-4-10-11-8-9(3)6-7-13(11)14-12(10)5-2;1-7-5-3-2-4-6-7/h5-12H,1-4H3;4-11H,3H2,1-2H3;4-8H,1-2H2,3H3;2-6H,1H3
InChIKeyJYPHKPZPGURWHM-UHFFFAOYSA-N
MW745.06 g/mol
LogP16.01
Rot. Bonds4

About 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene

2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene (PubChem CID 144613327) has the molecular formula C56H56O and a molecular weight of 745.06 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
PubChem CID144613327
Molecular FormulaC56H56O
Molecular Weight745.06 g/mol
Exact Mass744.43
IUPAC Name2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
SMILESC=Cc1oc2ccc(C)cc2c1C=C.CCc1ccccc1-c1ccccc1C.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1
InChIInChI=1S/C21H20.C15H16.C13H12O.C7H8/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;1-3-13-9-5-7-11-15(13)14-10-6-4-8-12(14)2;1-4-10-11-8-9(3)6-7-13(11)14-12(10)5-2;1-7-5-3-2-4-6-7/h5-12H,1-4H3;4-11H,3H2,1-2H3;4-8H,1-2H2,3H3;2-6H,1H3
InChIKeyJYPHKPZPGURWHM-UHFFFAOYSA-N
XLogP16.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.06
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;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

1,2-diethyl-3-(2-methylphenyl)benzene;1-(2-methylphenyl)-2,3-di(propan-2-yl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene;1,3-xylene
CID 144613457
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
1-ethyldibenzofuran;2-methylnaphthalene;4-propan-2-ylbenzonitrile;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613063
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
N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane
CID 144613168
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
(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene
CID 144613287
1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;1-methyl-9H-fluorene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5,7,7,9-tetramethylbenzo[c]fluorene
CID 144613590
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran;9-methyl-N-(4-methylphenyl)-N-naphthalen-1-yl-7,7-diphenylbenzo[c]fluoren-5-amine;toluene
CID 144614123
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran
CID 143904901
3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The IUPAC name of 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene (CID 144613327) is 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene.
What is the SMILES notation for 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The canonical SMILES for 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene is C=Cc1oc2ccc(C)cc2c1C=C.CCc1ccccc1-c1ccccc1C.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1.
What is the InChIKey of 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The InChIKey is JYPHKPZPGURWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C15H16.C13H12O.C7H8/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;1-3-13-9-5-7-11-15(13)14-10-6-4-8-12(14)2;1-4-10-11-8-9(3)6-7-13(11)14-12(10)5-2;1-7-5-3-2-4-6-7/h5-12H,1-4H3;4-11H,3H2,1-2H3;4-8H,1-2H2,3H3;2-6H,1H3.
What are the key properties of 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene has a molecular weight of 745.06 g/mol, XLogP of 16.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene is sourced from PubChem (CID 144613327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).