2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C37H17F15N4 — CID 15947312

IUPAC2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(c4ccc[nH]4)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3c(F)c(F)c(F)c(F)c3F)[nH]2)c(F)c1F
InChIInChI=1S/C37H17F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17(11-3-1-9-53-11)13-5-7-15(55-13)19(22-27(42)33(48)37(52)34(49)28(22)43)16-8-6-14(56-16)18(12-4-2-10-54-12)21-25(40)31(46)36(51)32(47)26(21)41/h1-10,17-19,53-56H
InChIKeyMOHPAFFXMKISPQ-UHFFFAOYSA-N
MW802.54 g/mol
LogP10.63
Rot. Bonds9

About 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 15947312) has the molecular formula C37H17F15N4 and a molecular weight of 802.54 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID15947312
Molecular FormulaC37H17F15N4
Molecular Weight802.54 g/mol
Exact Mass802.12
IUPAC Name2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESFc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(c4ccc[nH]4)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3c(F)c(F)c(F)c(F)c3F)[nH]2)c(F)c1F
InChIInChI=1S/C37H17F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17(11-3-1-9-53-11)13-5-7-15(55-13)19(22-27(42)33(48)37(52)34(49)28(22)43)16-8-6-14(56-16)18(12-4-2-10-54-12)21-25(40)31(46)36(51)32(47)26(21)41/h1-10,17-19,53-56H
InChIKeyMOHPAFFXMKISPQ-UHFFFAOYSA-N
XLogP10.63
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.54
LogP ≤ 510.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole 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

5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
5,15-Diphenyl-21H,23H-porphine
CID 10895852
1,1,1-Tris(3-indolyl)methane
CID 254323
3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propylamine
CID 44399722
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,8,8a-hexahydroindolizine
CID 9798931
4V9C6Fbz7M
CID 9811100
7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
CID 9863655
1H-Indole, 3,3'-methylenebis[5-fluoro-
CID 9882204

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 15947312) is 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Fc1c(F)c(F)c(C(c2ccc[nH]2)c2ccc(C(c3ccc(C(c4ccc[nH]4)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3c(F)c(F)c(F)c(F)c3F)[nH]2)c(F)c1F.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is MOHPAFFXMKISPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H17F15N4/c38-23-20(24(39)30(45)35(50)29(23)44)17(11-3-1-9-53-11)13-5-7-15(55-13)19(22-27(42)33(48)37(52)34(49)28(22)43)16-8-6-14(56-16)18(12-4-2-10-54-12)21-25(40)31(46)36(51)32(47)26(21)41/h1-10,17-19,53-56H.
What are the key properties of 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 802.54 g/mol, XLogP of 10.63, 9 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 15947312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).