butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane

C57H72 — CID 142567559

IUPACbutane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane
SMILESC=CCc1ccc(C)cc1.CC.CC(C)=Cc1ccc(C)cc1C.CCC.CCCC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H20.C12H16.C10H12.C4H10.C3H8.C2H6/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-9(2)7-12-6-5-10(3)8-11(12)4;1-3-4-10-7-5-9(2)6-8-10;1-3-4-2;1-3-2;1-2/h2-18H,1H3;5-8H,1-4H3;3,5-8H,1,4H2,2H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyZOEVILSKZWICNB-UHFFFAOYSA-N
MW757.20 g/mol
LogP17.06
Rot. Bonds6

About butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane

butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane (PubChem CID 142567559) has the molecular formula C57H72 and a molecular weight of 757.20 g/mol. Its IUPAC name is butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane.

Molecular Properties

Compound Namebutane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane
PubChem CID142567559
Molecular FormulaC57H72
Molecular Weight757.20 g/mol
Exact Mass756.56
IUPAC Namebutane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane
SMILESC=CCc1ccc(C)cc1.CC.CC(C)=Cc1ccc(C)cc1C.CCC.CCCC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H20.C12H16.C10H12.C4H10.C3H8.C2H6/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-9(2)7-12-6-5-10(3)8-11(12)4;1-3-4-10-7-5-9(2)6-8-10;1-3-4-2;1-3-2;1-2/h2-18H,1H3;5-8H,1-4H3;3,5-8H,1,4H2,2H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyZOEVILSKZWICNB-UHFFFAOYSA-N
XLogP17.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.20
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane 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

methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
butane;2,2-dimethylpropane;ethane;methane;bis(2-methylbutane);2-methyl-9,9-diphenylfluorene;2-methylpropane;pentane
CID 157099675
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
CID 157306926
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
9,9-diphenylfluorene;propane
CID 158205050
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
1-butan-2-yl-2-methylbenzene;1-butyl-4-(4-methylphenyl)benzene;ethane;ethene;2-methyl-9,9-diphenylfluorene;2-methylhexane;toluene
CID 144741454
2-deuterio-7-methyl-9,9-diphenylfluorene
CID 59886082
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057

Frequently Asked Questions

What is the IUPAC name of butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane?
The IUPAC name of butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane (CID 142567559) is butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane.
What is the SMILES notation for butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane?
The canonical SMILES for butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane is C=CCc1ccc(C)cc1.CC.CC(C)=Cc1ccc(C)cc1C.CCC.CCCC.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane?
The InChIKey is ZOEVILSKZWICNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.C12H16.C10H12.C4H10.C3H8.C2H6/c1-19-16-17-23-22-14-8-9-15-24(22)26(25(23)18-19,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-9(2)7-12-6-5-10(3)8-11(12)4;1-3-4-10-7-5-9(2)6-8-10;1-3-4-2;1-3-2;1-2/h2-18H,1H3;5-8H,1-4H3;3,5-8H,1,4H2,2H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane?
butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane has a molecular weight of 757.20 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene;ethane;2-methyl-9,9-diphenylfluorene;1-methyl-4-prop-2-enylbenzene;propane is sourced from PubChem (CID 142567559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).