[5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone

C44H10F20N4O2 — CID 6396289

IUPAC[5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1ccc(/C(=C2/C=CC(C3=N/C(=C(\c4ccc(C(=O)c5c(F)c(F)c(F)c(F)c5F)[nH]4)c4c(F)c(F)c(F)c(F)c4F)C=C3)=N2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C44H10F20N4O2/c45-23-19(24(46)32(54)39(61)31(23)53)17(13-5-7-15(67-13)43(69)21-27(49)35(57)41(63)36(58)28(21)50)11-3-1-9(65-11)10-2-4-12(66-10)18(20-25(47)33(55)40(62)34(56)26(20)48)14-6-8-16(68-14)44(70)22-29(51)37(59)42(64)38(60)30(22)52/h1-8,67-68H/b17-11+,18-12+
InChIKeyNJEVPAUHCSDBTH-JYFOCSDGSA-N
MW1006.55 g/mol
LogP11.83
Rot. Bonds9

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

[5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 6396289) has the molecular formula C44H10F20N4O2 and a molecular weight of 1006.55 g/mol. Its IUPAC name is [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name[5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID6396289
Molecular FormulaC44H10F20N4O2
Molecular Weight1006.55 g/mol
Exact Mass1006.05
IUPAC Name[5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1ccc(/C(=C2/C=CC(C3=N/C(=C(\c4ccc(C(=O)c5c(F)c(F)c(F)c(F)c5F)[nH]4)c4c(F)c(F)c(F)c(F)c4F)C=C3)=N2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C44H10F20N4O2/c45-23-19(24(46)32(54)39(61)31(23)53)17(13-5-7-15(67-13)43(69)21-27(49)35(57)41(63)36(58)28(21)50)11-3-1-9(65-11)10-2-4-12(66-10)18(20-25(47)33(55)40(62)34(56)26(20)48)14-6-8-16(68-14)44(70)22-29(51)37(59)42(64)38(60)30(22)52/h1-8,67-68H/b17-11+,18-12+
InChIKeyNJEVPAUHCSDBTH-JYFOCSDGSA-N
XLogP11.83
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.55
LogP ≤ 511.83
H-Bond Donors ≤ 52
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-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)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

Related Compounds

(5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
CID 11500099
Bisindigotin
CID 135545472
1,2-Di(1H-indol-2-yl)-1,2-ethanedione
CID 372680
Guyvqscarhbgsb-uhfffaoysa-
CID 3436213
2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
CID 163080242
3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1H-indol-2-yl]propan-1-one
CID 118708379
N-(4-fluorophenyl)-5-[4-[(4-fluorophenyl)carbamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 156016632
2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
CID 136861641
[5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 10604757
Methanone, (3,5-diphenyl-1H-pyrrol-2-yl)phenyl-
CID 629610
Phenyl(5-phenyl-1H-pyrrol-2-yl)methanone
CID 13413078
2-(2,5-diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one
CID 360056

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone (CID 6396289) is [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(c1ccc(/C(=C2/C=CC(C3=N/C(=C(\c4ccc(C(=O)c5c(F)c(F)c(F)c(F)c5F)[nH]4)c4c(F)c(F)c(F)c(F)c4F)C=C3)=N2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is NJEVPAUHCSDBTH-JYFOCSDGSA-N. The full InChI is InChI=1S/C44H10F20N4O2/c45-23-19(24(46)32(54)39(61)31(23)53)17(13-5-7-15(67-13)43(69)21-27(49)35(57)41(63)36(58)28(21)50)11-3-1-9(65-11)10-2-4-12(66-10)18(20-25(47)33(55)40(62)34(56)26(20)48)14-6-8-16(68-14)44(70)22-29(51)37(59)42(64)38(60)30(22)52/h1-8,67-68H/b17-11+,18-12+.
What are the key properties of [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone?
[5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 1006.55 g/mol, XLogP of 11.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-[5-[(5Z)-5-[[5-(2,3,4,5,6-pentafluorobenzoyl)-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methylidene]pyrrol-2-yl]pyrrol-2-ylidene]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 6396289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).