[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate

C56H45F3O6 — CID 129041394

IUPAC[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(COC(=O)C=C)(COC(=O)C=C)c5cc(C)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C56H45F3O6/c1-8-50(60)63-29-33-12-18-38-39-19-13-34(25-45(39)53(5,6)44(38)24-33)35-14-20-40-41-21-15-36(27-47(41)54(7,46(40)26-35)56(57,58)59)37-16-22-43-42-17-11-32(4)23-48(42)55(49(43)28-37,30-64-51(61)9-2)31-65-52(62)10-3/h8-28H,1-3,29-31H2,4-7H3
InChIKeyXIVXXJYHBAGGNV-UHFFFAOYSA-N
MW870.96 g/mol
LogP12.44
Rot. Bonds11

About [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate

[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate (PubChem CID 129041394) has the molecular formula C56H45F3O6 and a molecular weight of 870.96 g/mol. Its IUPAC name is [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate
PubChem CID129041394
Molecular FormulaC56H45F3O6
Molecular Weight870.96 g/mol
Exact Mass870.32
IUPAC Name[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(COC(=O)C=C)(COC(=O)C=C)c5cc(C)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C56H45F3O6/c1-8-50(60)63-29-33-12-18-38-39-19-13-34(25-45(39)53(5,6)44(38)24-33)35-14-20-40-41-21-15-36(27-47(41)54(7,46(40)26-35)56(57,58)59)37-16-22-43-42-17-11-32(4)23-48(42)55(49(43)28-37,30-64-51(61)9-2)31-65-52(62)10-3/h8-28H,1-3,29-31H2,4-7H3
InChIKeyXIVXXJYHBAGGNV-UHFFFAOYSA-N
XLogP12.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.96
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[9,9-dimethyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]butyl prop-2-enoate
CID 129041346
[2-(7-bromo-9,9-dimethylfluoren-2-yl)-7-(9,9-dimethylfluoren-2-yl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]methyl prop-2-enoate
CID 129041353
[4-[N-[9,9-dimethyl-7-[4-(prop-2-enoyloxymethyl)-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl prop-2-enoate
CID 58385641
2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
CID 129056201
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
[2-fluoranthen-3-yl-9-(prop-2-enoyloxymethyl)-7-[3-(3,3,3-trifluoropropyl)phenyl]fluoren-9-yl]methyl prop-2-enoate
CID 129041335
2-[2-(4-ethenylphenoxy)ethyl]-9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluorene
CID 118654987
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2,7,9,9-tetramethylfluorene
CID 22951928
3-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]propyl prop-2-enoate
CID 118652517

Frequently Asked Questions

What is the IUPAC name of [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate?
The IUPAC name of [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate (CID 129041394) is [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate.
What is the SMILES notation for [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate?
The canonical SMILES for [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate is C=CC(=O)OCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(COC(=O)C=C)(COC(=O)C=C)c5cc(C)ccc5-6)ccc3-4)ccc1-2.
What is the InChIKey of [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate?
The InChIKey is XIVXXJYHBAGGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45F3O6/c1-8-50(60)63-29-33-12-18-38-39-19-13-34(25-45(39)53(5,6)44(38)24-33)35-14-20-40-41-21-15-36(27-47(41)54(7,46(40)26-35)56(57,58)59)37-16-22-43-42-17-11-32(4)23-48(42)55(49(43)28-37,30-64-51(61)9-2)31-65-52(62)10-3/h8-28H,1-3,29-31H2,4-7H3.
What are the key properties of [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate?
[9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate has a molecular weight of 870.96 g/mol, XLogP of 12.44, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-dimethyl-7-[9-methyl-7-[7-methyl-9,9-bis(prop-2-enoyloxymethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]fluoren-2-yl]methyl prop-2-enoate is sourced from PubChem (CID 129041394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).