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

C72H82 — CID 144613457

IUPAC1,2-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
SMILESCCc1cccc(-c2ccccc2C)c1CC.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1-c1cccc(C(C)C)c1C(C)C
InChIInChI=1S/C21H20.C19H24.C17H20.C8H10.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;1-13(2)16-11-8-12-18(19(16)14(3)4)17-10-7-6-9-15(17)5;1-4-14-10-8-12-17(15(14)5-2)16-11-7-6-9-13(16)3;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7/h5-12H,1-4H3;6-14H,1-5H3;6-12H,4-5H2,1-3H3;3-6H,1-2H3;2-6H,1H3
InChIKeyMBAVFCGICSTTMU-UHFFFAOYSA-N
MW947.45 g/mol
LogP20.76
Rot. Bonds6

About 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

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 (PubChem CID 144613457) has the molecular formula C72H82 and a molecular weight of 947.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID144613457
Molecular FormulaC72H82
Molecular Weight947.45 g/mol
Exact Mass946.64
IUPAC Name1,2-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
SMILESCCc1cccc(-c2ccccc2C)c1CC.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1-c1cccc(C(C)C)c1C(C)C
InChIInChI=1S/C21H20.C19H24.C17H20.C8H10.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;1-13(2)16-11-8-12-18(19(16)14(3)4)17-10-7-6-9-15(17)5;1-4-14-10-8-12-17(15(14)5-2)16-11-7-6-9-13(16)3;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7/h5-12H,1-4H3;6-14H,1-5H3;6-12H,4-5H2,1-3H3;3-6H,1-2H3;2-6H,1H3
InChIKeyMBAVFCGICSTTMU-UHFFFAOYSA-N
XLogP20.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.45
LogP ≤ 520.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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

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
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
1-ethyldibenzofuran;2-methylnaphthalene;4-propan-2-ylbenzonitrile;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613063
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
(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene
CID 144613287
9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene
CID 144613924
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607873
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
2,4-diphenyl-6-(5,7,7-trimethylbenzo[g]fluoren-9-yl)-1,3,5-triazine
CID 169290945
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc(-c2ccccc2C)c1CC.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1-c1cccc(C(C)C)c1C(C)C.
What is the InChIKey of 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?
The InChIKey is MBAVFCGICSTTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C19H24.C17H20.C8H10.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;1-13(2)16-11-8-12-18(19(16)14(3)4)17-10-7-6-9-15(17)5;1-4-14-10-8-12-17(15(14)5-2)16-11-7-6-9-13(16)3;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7/h5-12H,1-4H3;6-14H,1-5H3;6-12H,4-5H2,1-3H3;3-6H,1-2H3;2-6H,1H3.
What are the key properties of 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?
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 has a molecular weight of 947.45 g/mol, XLogP of 20.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144613457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).