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

C44H16F20N4O — CID 102524549

IUPAC(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone
SMILESO=C(c1ccc(C(c2c[nH]c(C(c3c[nH]c(C(c4ccc[nH]4)c4c(F)c(F)c(F)c(F)c4F)c3)c3c(F)c(F)c(F)c(F)c3F)c2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C44H16F20N4O/c45-24-20(25(46)33(54)40(61)32(24)53)17(13-3-4-14(68-13)44(69)23-30(51)38(59)43(64)39(60)31(23)52)10-6-15(66-8-10)18(21-26(47)34(55)41(62)35(56)27(21)48)11-7-16(67-9-11)19(12-2-1-5-65-12)22-28(49)36(57)42(63)37(58)29(22)50/h1-9,17-19,65-68H
InChIKeyOTUFJUVRZQKFPR-UHFFFAOYSA-N
MW996.60 g/mol
LogP12.55
Rot. Bonds11

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

(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone (PubChem CID 102524549) has the molecular formula C44H16F20N4O and a molecular weight of 996.60 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone
PubChem CID102524549
Molecular FormulaC44H16F20N4O
Molecular Weight996.60 g/mol
Exact Mass996.10
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone
SMILESO=C(c1ccc(C(c2c[nH]c(C(c3c[nH]c(C(c4ccc[nH]4)c4c(F)c(F)c(F)c(F)c4F)c3)c3c(F)c(F)c(F)c(F)c3F)c2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C44H16F20N4O/c45-24-20(25(46)33(54)40(61)32(24)53)17(13-3-4-14(68-13)44(69)23-30(51)38(59)43(64)39(60)31(23)52)10-6-15(66-8-10)18(21-26(47)34(55)41(62)35(56)27(21)48)11-7-16(67-9-11)19(12-2-1-5-65-12)22-28(49)36(57)42(63)37(58)29(22)50/h1-9,17-19,65-68H
InChIKeyOTUFJUVRZQKFPR-UHFFFAOYSA-N
XLogP12.55
TPSA80.23 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.60
LogP ≤ 512.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone (CID 102524549) is (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone is O=C(c1ccc(C(c2c[nH]c(C(c3c[nH]c(C(c4ccc[nH]4)c4c(F)c(F)c(F)c(F)c4F)c3)c3c(F)c(F)c(F)c(F)c3F)c2)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 (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone?
The InChIKey is OTUFJUVRZQKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H16F20N4O/c45-24-20(25(46)33(54)40(61)32(24)53)17(13-3-4-14(68-13)44(69)23-30(51)38(59)43(64)39(60)31(23)52)10-6-15(66-8-10)18(21-26(47)34(55)41(62)35(56)27(21)48)11-7-16(67-9-11)19(12-2-1-5-65-12)22-28(49)36(57)42(63)37(58)29(22)50/h1-9,17-19,65-68H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone?
(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone has a molecular weight of 996.60 g/mol, XLogP of 12.55, 11 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-[5-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-3-yl]methyl]-1H-pyrrol-2-yl]methanone is sourced from PubChem (CID 102524549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).