[5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone

C52H18F20N4O4 — CID 57386764

IUPAC[5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1ccc(C(c2ccc(C(c3ccc(C(=O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3ccc(C(=O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)cc2)c2ccc(C(=O)c3c(F)c(F)c(F)c(F)c3F)[nH]2)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C52H18F20N4O4/c53-29-25(30(54)38(62)45(69)37(29)61)49(77)19-9-5-15(73-19)23(16-6-10-20(74-16)50(78)26-31(55)39(63)46(70)40(64)32(26)56)13-1-2-14(4-3-13)24(17-7-11-21(75-17)51(79)27-33(57)41(65)47(71)42(66)34(27)58)18-8-12-22(76-18)52(80)28-35(59)43(67)48(72)44(68)36(28)60/h1-12,23-24,73-76H
InChIKeyFFLQFZLIKXPJJT-UHFFFAOYSA-N
MW1142.70 g/mol
LogP13.07
Rot. Bonds14

About [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone

[5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 57386764) has the molecular formula C52H18F20N4O4 and a molecular weight of 1142.70 g/mol. Its IUPAC name is [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name[5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID57386764
Molecular FormulaC52H18F20N4O4
Molecular Weight1142.70 g/mol
Exact Mass1142.10
IUPAC Name[5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1ccc(C(c2ccc(C(c3ccc(C(=O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3ccc(C(=O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)cc2)c2ccc(C(=O)c3c(F)c(F)c(F)c(F)c3F)[nH]2)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C52H18F20N4O4/c53-29-25(30(54)38(62)45(69)37(29)61)49(77)19-9-5-15(73-19)23(16-6-10-20(74-16)50(78)26-31(55)39(63)46(70)40(64)32(26)56)13-1-2-14(4-3-13)24(17-7-11-21(75-17)51(79)27-33(57)41(65)47(71)42(66)34(27)58)18-8-12-22(76-18)52(80)28-35(59)43(67)48(72)44(68)36(28)60/h1-12,23-24,73-76H
InChIKeyFFLQFZLIKXPJJT-UHFFFAOYSA-N
XLogP13.07
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.70
LogP ≤ 513.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone (CID 57386764) is [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(c1ccc(C(c2ccc(C(c3ccc(C(=O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3ccc(C(=O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)cc2)c2ccc(C(=O)c3c(F)c(F)c(F)c(F)c3F)[nH]2)[nH]1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is FFLQFZLIKXPJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H18F20N4O4/c53-29-25(30(54)38(62)45(69)37(29)61)49(77)19-9-5-15(73-19)23(16-6-10-20(74-16)50(78)26-31(55)39(63)46(70)40(64)32(26)56)13-1-2-14(4-3-13)24(17-7-11-21(75-17)51(79)27-33(57)41(65)47(71)42(66)34(27)58)18-8-12-22(76-18)52(80)28-35(59)43(67)48(72)44(68)36(28)60/h1-12,23-24,73-76H.
What are the key properties of [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
[5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 1142.70 g/mol, XLogP of 13.07, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[bis[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]phenyl]-[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 57386764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).