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

C40H15F20N3O2 — CID 15947207

IUPAC[5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1ccc(C(c2ccc(C(c3ccc(C(O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3c(F)c(F)c(F)c(F)c3F)[nH]2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C40H15F20N3O2/c41-19-15(20(42)28(50)35(57)27(19)49)13(9-3-5-11(62-9)39(64)17-23(45)31(53)37(59)32(54)24(17)46)7-1-2-8(61-7)14(16-21(43)29(51)36(58)30(52)22(16)44)10-4-6-12(63-10)40(65)18-25(47)33(55)38(60)34(56)26(18)48/h1-6,13-14,39-40,61-65H
InChIKeyPVTFFDAWZGPZAU-UHFFFAOYSA-N
MW949.54 g/mol
LogP10.98
Rot. Bonds10

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

[5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 15947207) has the molecular formula C40H15F20N3O2 and a molecular weight of 949.54 g/mol. Its IUPAC name is [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name[5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID15947207
Molecular FormulaC40H15F20N3O2
Molecular Weight949.54 g/mol
Exact Mass949.08
IUPAC Name[5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1ccc(C(c2ccc(C(c3ccc(C(O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3c(F)c(F)c(F)c(F)c3F)[nH]2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C40H15F20N3O2/c41-19-15(20(42)28(50)35(57)27(19)49)13(9-3-5-11(62-9)39(64)17-23(45)31(53)37(59)32(54)24(17)46)7-1-2-8(61-7)14(16-21(43)29(51)36(58)30(52)22(16)44)10-4-6-12(63-10)40(65)18-25(47)33(55)38(60)34(56)26(18)48/h1-6,13-14,39-40,61-65H
InChIKeyPVTFFDAWZGPZAU-UHFFFAOYSA-N
XLogP10.98
TPSA87.83 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.54
LogP ≤ 510.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol (CID 15947207) is [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol is OC(c1ccc(C(c2ccc(C(c3ccc(C(O)c4c(F)c(F)c(F)c(F)c4F)[nH]3)c3c(F)c(F)c(F)c(F)c3F)[nH]2)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-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is PVTFFDAWZGPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H15F20N3O2/c41-19-15(20(42)28(50)35(57)27(19)49)13(9-3-5-11(62-9)39(64)17-23(45)31(53)37(59)32(54)24(17)46)7-1-2-8(61-7)14(16-21(43)29(51)36(58)30(52)22(16)44)10-4-6-12(63-10)40(65)18-25(47)33(55)38(60)34(56)26(18)48/h1-6,13-14,39-40,61-65H.
What are the key properties of [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol?
[5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 949.54 g/mol, XLogP of 10.98, 10 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[[5-[hydroxy-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methyl]-1H-pyrrol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 15947207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).