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

C68H85F — CID 144613867

IUPAC3,4-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
SMILESC=C/C=C(/C)C=C.C=C/C=C(\C=C/C)C(/C)=C/C(C)=C\C.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(-c2ccccc2)c1F
InChIInChI=1S/C21H22.C14H20.C13H11F.C11H16.C7H10.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;1-6-9-14(10-7-2)13(5)11-12(4)8-3;1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11;1-9-5-7-10(8-6-9)11(2,3)4;1-4-6-7(3)5-2;1-2/h7-12H,1-2H2,3-6H3;6-11H,1H2,2-5H3;2-9H,1H3;5-8H,1-4H3;4-6H,1-2H2,3H3;1-2H3/b;10-7-,12-8-,13-11+,14-9+;;;7-6-;
InChIKeySFMHUFWQCNGJRX-LSHSMNSZSA-N
MW921.43 g/mol
LogP20.91
Rot. Bonds9

About 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

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 (PubChem CID 144613867) has the molecular formula C68H85F and a molecular weight of 921.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID144613867
Molecular FormulaC68H85F
Molecular Weight921.43 g/mol
Exact Mass920.66
IUPAC Name3,4-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
SMILESC=C/C=C(/C)C=C.C=C/C=C(\C=C/C)C(/C)=C/C(C)=C\C.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(-c2ccccc2)c1F
InChIInChI=1S/C21H22.C14H20.C13H11F.C11H16.C7H10.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;1-6-9-14(10-7-2)13(5)11-12(4)8-3;1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11;1-9-5-7-10(8-6-9)11(2,3)4;1-4-6-7(3)5-2;1-2/h7-12H,1-2H2,3-6H3;6-11H,1H2,2-5H3;2-9H,1H3;5-8H,1-4H3;4-6H,1-2H2,3H3;1-2H3/b;10-7-,12-8-,13-11+,14-9+;;;7-6-;
InChIKeySFMHUFWQCNGJRX-LSHSMNSZSA-N
XLogP20.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.43
LogP ≤ 520.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
CID 144614661
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
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
2,7-ditert-butyl-4-(2-hexa-2,4-dien-3-ylphenyl)-9,9-dimethylfluorene
CID 123187844
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
(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
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(/C)C=C.C=C/C=C(\C=C/C)C(/C)=C/C(C)=C\C.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(-c2ccccc2)c1F.
What is the InChIKey of 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?
The InChIKey is SFMHUFWQCNGJRX-LSHSMNSZSA-N. The full InChI is InChI=1S/C21H22.C14H20.C13H11F.C11H16.C7H10.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;1-6-9-14(10-7-2)13(5)11-12(4)8-3;1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11;1-9-5-7-10(8-6-9)11(2,3)4;1-4-6-7(3)5-2;1-2/h7-12H,1-2H2,3-6H3;6-11H,1H2,2-5H3;2-9H,1H3;5-8H,1-4H3;4-6H,1-2H2,3H3;1-2H3/b;10-7-,12-8-,13-11+,14-9+;;;7-6-;.
What are the key properties of 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?
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 has a molecular weight of 921.43 g/mol, XLogP of 20.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144613867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).