2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane

C65H76 — CID 143759679

IUPAC2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane
SMILESC/C(=C\C=C(/C)c1ccc(C)cc1)c1ccccc1.CCC.CCC(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc(-c2cccc(C3=C(C4CCC4)C=CCC3)c2C)cc1
InChIInChI=1S/C24H26.C19H22.C19H20.C3H8/c1-17-13-15-20(16-14-17)21-11-6-12-22(18(21)2)24-10-4-3-9-23(24)19-7-5-8-19;1-5-13(2)14-10-11-16-15-8-6-7-9-17(15)19(3,4)18(16)12-14;1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18;1-3-2/h3,6,9,11-16,19H,4-5,7-8,10H2,1-2H3;6-13H,5H2,1-4H3;4-14H,1-3H3;3H2,1-2H3/b;;16-11+,17-12+;
InChIKeyCVPKCIOQGMDZGP-HLHSGXKBSA-N
MW857.32 g/mol
LogP19.30
Rot. Bonds8

About 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane

2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane (PubChem CID 143759679) has the molecular formula C65H76 and a molecular weight of 857.32 g/mol. Its IUPAC name is 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane.

Molecular Properties

Compound Name2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane
PubChem CID143759679
Molecular FormulaC65H76
Molecular Weight857.32 g/mol
Exact Mass856.59
IUPAC Name2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane
SMILESC/C(=C\C=C(/C)c1ccc(C)cc1)c1ccccc1.CCC.CCC(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc(-c2cccc(C3=C(C4CCC4)C=CCC3)c2C)cc1
InChIInChI=1S/C24H26.C19H22.C19H20.C3H8/c1-17-13-15-20(16-14-17)21-11-6-12-22(18(21)2)24-10-4-3-9-23(24)19-7-5-8-19;1-5-13(2)14-10-11-16-15-8-6-7-9-17(15)19(3,4)18(16)12-14;1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18;1-3-2/h3,6,9,11-16,19H,4-5,7-8,10H2,1-2H3;6-13H,5H2,1-4H3;4-14H,1-3H3;3H2,1-2H3/b;;16-11+,17-12+;
InChIKeyCVPKCIOQGMDZGP-HLHSGXKBSA-N
XLogP19.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.32
LogP ≤ 519.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane with MolForge

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Related Compounds

[4-[2-methyl-3-(2-propylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]-[4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]phenyl]-[4-(4-phenylphenyl)phenyl]borane
CID 143759683
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
2-butan-2-yl-9,9-diphenylfluorene;ethane;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-phenylbenzene
CID 144810091
ethane;1-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)benzene;1-methyl-4-[(2E)-penta-2,4-dien-2-yl]benzene;propane
CID 143424051
N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155614229
2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane
CID 144659851
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
4-[6-(4-butan-2-ylphenyl)-9-(4-methylphenyl)carbazol-3-yl]-N,N-diphenylaniline;4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159054745
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
16-(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.8.2.02,7.09,23.014,19]tricosa-2(7),5,9,11,13(23),14(19),15,17-octaene
CID 90761050
1,1-dimethyl-9-(4-methylphenyl)-2-phenyl-5,6-dihydropyrrolo[3,2-b]carbazole;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;2,9,9-trimethylfluorene
CID 145243418

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane?
The IUPAC name of 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane (CID 143759679) is 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane.
What is the SMILES notation for 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane?
The canonical SMILES for 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane is C/C(=C\C=C(/C)c1ccc(C)cc1)c1ccccc1.CCC.CCC(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc(-c2cccc(C3=C(C4CCC4)C=CCC3)c2C)cc1.
What is the InChIKey of 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane?
The InChIKey is CVPKCIOQGMDZGP-HLHSGXKBSA-N. The full InChI is InChI=1S/C24H26.C19H22.C19H20.C3H8/c1-17-13-15-20(16-14-17)21-11-6-12-22(18(21)2)24-10-4-3-9-23(24)19-7-5-8-19;1-5-13(2)14-10-11-16-15-8-6-7-9-17(15)19(3,4)18(16)12-14;1-15-9-13-19(14-10-15)17(3)12-11-16(2)18-7-5-4-6-8-18;1-3-2/h3,6,9,11-16,19H,4-5,7-8,10H2,1-2H3;6-13H,5H2,1-4H3;4-14H,1-3H3;3H2,1-2H3/b;;16-11+,17-12+;.
What are the key properties of 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane?
2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane has a molecular weight of 857.32 g/mol, XLogP of 19.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane is sourced from PubChem (CID 143759679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).