[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate

C60H54O8 — CID 118652615

IUPAC[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate
SMILESC=CC(=O)OCCCC1(COC(=O)CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCOC(=O)C=C)(COC(=O)CC)c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C60H54O8/c1-5-53(61)65-33-17-31-59(37-67-55(63)7-3)49-25-15-13-19-41(49)43-29-27-39(35-51(43)59)57-45-21-9-11-23-47(45)58(48-24-12-10-22-46(48)57)40-28-30-44-42-20-14-16-26-50(42)60(52(44)36-40,38-68-56(64)8-4)32-18-34-66-54(62)6-2/h5-6,9-16,19-30,35-36H,1-2,7-8,17-18,31-34,37-38H2,3-4H3
InChIKeyDCRNUFDKRGZWBJ-UHFFFAOYSA-N
MW903.08 g/mol
LogP12.79
Rot. Bonds18

About [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate

[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate (PubChem CID 118652615) has the molecular formula C60H54O8 and a molecular weight of 903.08 g/mol. Its IUPAC name is [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate.

Molecular Properties

Compound Name[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate
PubChem CID118652615
Molecular FormulaC60H54O8
Molecular Weight903.08 g/mol
Exact Mass902.38
IUPAC Name[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate
SMILESC=CC(=O)OCCCC1(COC(=O)CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCOC(=O)C=C)(COC(=O)CC)c4ccccc4-5)c4ccccc34)cc21
InChIInChI=1S/C60H54O8/c1-5-53(61)65-33-17-31-59(37-67-55(63)7-3)49-25-15-13-19-41(49)43-29-27-39(35-51(43)59)57-45-21-9-11-23-47(45)58(48-24-12-10-22-46(48)57)40-28-30-44-42-20-14-16-26-50(42)60(52(44)36-40,38-68-56(64)8-4)32-18-34-66-54(62)6-2/h5-6,9-16,19-30,35-36H,1-2,7-8,17-18,31-34,37-38H2,3-4H3
InChIKeyDCRNUFDKRGZWBJ-UHFFFAOYSA-N
XLogP12.79
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.08
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[2-(10-methylanthracen-9-yl)-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
CID 134419448
5-[2-[10-(4-methylphenyl)anthracen-9-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
CID 134419462
3-[2-[7-[7-[9,9-diethyl-7-[9-(3-methylbutyl)-7-[7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]-9-pentylfluoren-2-yl]fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9-(3-methylbutyl)-9-pentylfluoren-2-yl]-7-[9-(3-methylbutyl)-7-[9-(3-methylbutyl)-9-pentylfluoren-2-yl]-9-pentylfluoren-2-yl]-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate
CID 118652620
3-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]propyl prop-2-enoate
CID 118652517
5-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]pentyl prop-2-enoate
CID 118652531
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
4-[2-[10-(3-methylphenyl)anthracen-9-yl]-9-[4-(2-methylprop-2-enoyloxy)butyl]fluoren-9-yl]butyl 2-methylprop-2-enoate
CID 134419461
9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293
3-[2,7-dibromo-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]propyl prop-2-enoate
CID 86606152
9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
CID 20822214
3-[2-(7-chloro-9,9-dimethylfluoren-2-yl)-9-ethenylfluoren-9-yl]propyl prop-2-enoate
CID 129056379
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718

Frequently Asked Questions

What is the IUPAC name of [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate?
The IUPAC name of [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate (CID 118652615) is [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate.
What is the SMILES notation for [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate?
The canonical SMILES for [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate is C=CC(=O)OCCCC1(COC(=O)CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCOC(=O)C=C)(COC(=O)CC)c4ccccc4-5)c4ccccc34)cc21.
What is the InChIKey of [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate?
The InChIKey is DCRNUFDKRGZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54O8/c1-5-53(61)65-33-17-31-59(37-67-55(63)7-3)49-25-15-13-19-41(49)43-29-27-39(35-51(43)59)57-45-21-9-11-23-47(45)58(48-24-12-10-22-46(48)57)40-28-30-44-42-20-14-16-26-50(42)60(52(44)36-40,38-68-56(64)8-4)32-18-34-66-54(62)6-2/h5-6,9-16,19-30,35-36H,1-2,7-8,17-18,31-34,37-38H2,3-4H3.
What are the key properties of [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate?
[2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate has a molecular weight of 903.08 g/mol, XLogP of 12.79, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[10-[9-(propanoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]anthracen-9-yl]-9-(3-prop-2-enoyloxypropyl)fluoren-9-yl]methyl propanoate is sourced from PubChem (CID 118652615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).