1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate

C74H72O4 — CID 118652612

IUPAC1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate
SMILESC=CC(=O)OCCCCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(C(CCC)OC(=O)CC)ccc7-8)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C74H72O4/c1-12-17-68(78-70(76)14-3)51-26-34-59-58-33-25-50(42-66(58)74(10,11)67(59)43-51)49-24-32-57-56-31-23-48(40-64(56)73(8,9)65(57)41-49)47-22-30-55-54-29-21-46(38-62(54)72(6,7)63(55)39-47)45-20-28-53-52-27-19-44(18-15-16-35-77-69(75)13-2)36-60(52)71(4,5)61(53)37-45/h13,19-34,36-43,68H,2,12,14-18,35H2,1,3-11H3
InChIKeyGTQJQMMDZLIBGR-UHFFFAOYSA-N
MW1025.39 g/mol
LogP18.76
Rot. Bonds14

About 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate

1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate (PubChem CID 118652612) has the molecular formula C74H72O4 and a molecular weight of 1025.39 g/mol. Its IUPAC name is 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate.

Molecular Properties

Compound Name1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate
PubChem CID118652612
Molecular FormulaC74H72O4
Molecular Weight1025.39 g/mol
Exact Mass1024.54
IUPAC Name1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate
SMILESC=CC(=O)OCCCCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(C(CCC)OC(=O)CC)ccc7-8)ccc5-6)ccc3-4)ccc1-2
InChIInChI=1S/C74H72O4/c1-12-17-68(78-70(76)14-3)51-26-34-59-58-33-25-50(42-66(58)74(10,11)67(59)43-51)49-24-32-57-56-31-23-48(40-64(56)73(8,9)65(57)41-49)47-22-30-55-54-29-21-46(38-62(54)72(6,7)63(55)39-47)45-20-28-53-52-27-19-44(18-15-16-35-77-69(75)13-2)36-60(52)71(4,5)61(53)37-45/h13,19-34,36-43,68H,2,12,14-18,35H2,1,3-11H3
InChIKeyGTQJQMMDZLIBGR-UHFFFAOYSA-N
XLogP18.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.39
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate with MolForge

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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
5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate
CID 118652531
4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]butyl prop-2-enoate
CID 118933480
3-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]propyl prop-2-enoate
CID 118652517
3-[4-[4-(7-pentyl-9H-fluoren-2-yl)phenyl]phenoxy]propyl prop-2-enoate
CID 23527476
[9,9-dimethyl-7-[3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoyloxy]fluoren-2-yl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate
CID 121311031
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
[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
6-[4-[9,9-dimethyl-7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]fluoren-2-yl]phenoxy]hexyl prop-2-enoate;3-[4-[9,9-dimethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]fluoren-2-yl]phenoxy]propyl prop-2-enoate;6-[4-[9-methyl-7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]-9H-fluoren-2-yl]phenoxy]hexyl prop-2-enoate;5-[4-[9-methyl-7-[4-(1-prop-2-enoyloxypentoxy)phenyl]-9H-fluoren-2-yl]phenoxy]pentyl prop-2-enoate;3-[4-[9-methyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate;6-[4-[7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl prop-2-enoate;3-[4-[7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]propyl prop-2-enoate
CID 159001747
3-[2-(7-chloro-9,9-dimethylfluoren-2-yl)-9-ethenylfluoren-9-yl]propyl prop-2-enoate
CID 129056379
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976

Frequently Asked Questions

What is the IUPAC name of 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate?
The IUPAC name of 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate (CID 118652612) is 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate.
What is the SMILES notation for 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate?
The canonical SMILES for 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate is C=CC(=O)OCCCCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(C(CCC)OC(=O)CC)ccc7-8)ccc5-6)ccc3-4)ccc1-2.
What is the InChIKey of 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate?
The InChIKey is GTQJQMMDZLIBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72O4/c1-12-17-68(78-70(76)14-3)51-26-34-59-58-33-25-50(42-66(58)74(10,11)67(59)43-51)49-24-32-57-56-31-23-48(40-64(56)73(8,9)65(57)41-49)47-22-30-55-54-29-21-46(38-62(54)72(6,7)63(55)39-47)45-20-28-53-52-27-19-44(18-15-16-35-77-69(75)13-2)36-60(52)71(4,5)61(53)37-45/h13,19-34,36-43,68H,2,12,14-18,35H2,1,3-11H3.
What are the key properties of 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate?
1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate has a molecular weight of 1025.39 g/mol, XLogP of 18.76, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[7-[7-[9,9-dimethyl-7-(4-prop-2-enoyloxybutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]butyl propanoate is sourced from PubChem (CID 118652612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).