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

C53H30F8O5 — CID 23526001

IUPAC[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H30F8O5/c1-27-42(54)44(56)40(45(57)43(27)55)50(62)28-11-19-33(20-12-28)65-34-21-13-29(14-22-34)51(63)41-46(58)48(60)52(49(61)47(41)59)66-35-25-17-31(18-26-35)53(30-15-23-32(64-2)24-16-30)38-9-5-3-7-36(38)37-8-4-6-10-39(37)53/h3-26H,1-2H3
InChIKeyDWUSOCOLCLPAFH-UHFFFAOYSA-N
MW898.80 g/mol
LogP13.53
Rot. Bonds11

About [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone (PubChem CID 23526001) has the molecular formula C53H30F8O5 and a molecular weight of 898.80 g/mol. Its IUPAC name is [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
PubChem CID23526001
Molecular FormulaC53H30F8O5
Molecular Weight898.80 g/mol
Exact Mass898.20
IUPAC Name[4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H30F8O5/c1-27-42(54)44(56)40(45(57)43(27)55)50(62)28-11-19-33(20-12-28)65-34-21-13-29(14-22-34)51(63)41-46(58)48(60)52(49(61)47(41)59)66-35-25-17-31(18-26-35)53(30-15-23-32(64-2)24-16-30)38-9-5-3-7-36(38)37-8-4-6-10-39(37)53/h3-26H,1-2H3
InChIKeyDWUSOCOLCLPAFH-UHFFFAOYSA-N
XLogP13.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.80
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone (CID 23526001) is [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)fluoren-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)fluoren-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)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The InChIKey is DWUSOCOLCLPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30F8O5/c1-27-42(54)44(56)40(45(57)43(27)55)50(62)28-11-19-33(20-12-28)65-34-21-13-29(14-22-34)51(63)41-46(58)48(60)52(49(61)47(41)59)66-35-25-17-31(18-26-35)53(30-15-23-32(64-2)24-16-30)38-9-5-3-7-36(38)37-8-4-6-10-39(37)53/h3-26H,1-2H3.
What are the key properties of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[9-(4-methoxyphenyl)fluoren-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)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone has a molecular weight of 898.80 g/mol, XLogP of 13.53, 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)fluoren-9-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone is sourced from PubChem (CID 23526001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).