[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone

C54H32F8O5 — CID 58721115

IUPAC[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
SMILESCOc1ccc(C2(c3ccc(Oc4c(F)c(F)c(C(=O)c5ccc(Oc6ccc(C(=O)c7c(F)c(F)c(C)c(F)c7F)cc6)cc5)c(F)c4F)cc3)c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C54H32F8O5/c1-28-43(55)45(57)41(46(58)44(28)56)51(63)29-11-19-36(20-12-29)66-37-21-13-30(14-22-37)52(64)42-47(59)49(61)53(50(62)48(42)60)67-38-25-17-34(18-26-38)54(33-15-23-35(65-2)24-16-33)39-9-5-3-7-31(39)27-32-8-4-6-10-40(32)54/h3-26H,27H2,1-2H3
InChIKeyXVFHHWBLBIDOFL-UHFFFAOYSA-N
MW912.83 g/mol
LogP13.45
Rot. Bonds11

About [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone

[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone (PubChem CID 58721115) has the molecular formula C54H32F8O5 and a molecular weight of 912.83 g/mol. Its IUPAC name is [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
PubChem CID58721115
Molecular FormulaC54H32F8O5
Molecular Weight912.83 g/mol
Exact Mass912.21
IUPAC Name[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
SMILESCOc1ccc(C2(c3ccc(Oc4c(F)c(F)c(C(=O)c5ccc(Oc6ccc(C(=O)c7c(F)c(F)c(C)c(F)c7F)cc6)cc5)c(F)c4F)cc3)c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C54H32F8O5/c1-28-43(55)45(57)41(46(58)44(28)56)51(63)29-11-19-36(20-12-29)66-37-21-13-30(14-22-37)52(64)42-47(59)49(61)53(50(62)48(42)60)67-38-25-17-34(18-26-38)54(33-15-23-35(65-2)24-16-33)39-9-5-3-7-31(39)27-32-8-4-6-10-40(32)54/h3-26H,27H2,1-2H3
InChIKeyXVFHHWBLBIDOFL-UHFFFAOYSA-N
XLogP13.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.83
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone with MolForge

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Related Compounds

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CID 61832641
6-((4-(Trifluoromethyl)benzyl)oxy)-3,4-dihydronaphthalen-1(2H)-one
CID 90643928
4-[(3,6-Dimethoxy-1,1,7-trimethyl-2-oxo-9-phenanthryl)oxy]-8-methoxy-3,3,7-trimethyl-cyclopenta[a]naphthalene-2,5-dione
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CID 78162

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The IUPAC name of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone (CID 58721115) is [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone is COc1ccc(C2(c3ccc(Oc4c(F)c(F)c(C(=O)c5ccc(Oc6ccc(C(=O)c7c(F)c(F)c(C)c(F)c7F)cc6)cc5)c(F)c4F)cc3)c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The InChIKey is XVFHHWBLBIDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32F8O5/c1-28-43(55)45(57)41(46(58)44(28)56)51(63)29-11-19-36(20-12-29)66-37-21-13-30(14-22-37)52(64)42-47(59)49(61)53(50(62)48(42)60)67-38-25-17-34(18-26-38)54(33-15-23-35(65-2)24-16-33)39-9-5-3-7-31(39)27-32-8-4-6-10-40(32)54/h3-26H,27H2,1-2H3.
What are the key properties of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone has a molecular weight of 912.83 g/mol, XLogP of 13.45, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)-10H-anthracen-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone is sourced from PubChem (CID 58721115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).