1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene

C35HF25 — CID 12040501

IUPAC1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene
SMILESFc1c(F)c(F)c(C2=C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C35HF25/c36-11-6(12(37)22(47)31(56)21(11)46)1-2(7-13(38)23(48)32(57)24(49)14(7)39)4(9-17(42)27(52)34(59)28(53)18(9)43)5(10-19(44)29(54)35(60)30(55)20(10)45)3(1)8-15(40)25(50)33(58)26(51)16(8)41/h1H
InChIKeyHNOYYEQPYCTQNP-UHFFFAOYSA-N
MW896.34 g/mol
LogP12.48
Rot. Bonds5

About 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene

1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene (PubChem CID 12040501) has the molecular formula C35HF25 and a molecular weight of 896.34 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene
PubChem CID12040501
Molecular FormulaC35HF25
Molecular Weight896.34 g/mol
Exact Mass895.97
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene
SMILESFc1c(F)c(F)c(C2=C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C35HF25/c36-11-6(12(37)22(47)31(56)21(11)46)1-2(7-13(38)23(48)32(57)24(49)14(7)39)4(9-17(42)27(52)34(59)28(53)18(9)43)5(10-19(44)29(54)35(60)30(55)20(10)45)3(1)8-15(40)25(50)33(58)26(51)16(8)41/h1H
InChIKeyHNOYYEQPYCTQNP-UHFFFAOYSA-N
XLogP12.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.34
LogP ≤ 512.48
H-Bond Donors ≤ 50
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene (CID 12040501) is 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene is Fc1c(F)c(F)c(C2=C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)C(c3c(F)c(F)c(F)c(F)c3F)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene?
The InChIKey is HNOYYEQPYCTQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35HF25/c36-11-6(12(37)22(47)31(56)21(11)46)1-2(7-13(38)23(48)32(57)24(49)14(7)39)4(9-17(42)27(52)34(59)28(53)18(9)43)5(10-19(44)29(54)35(60)30(55)20(10)45)3(1)8-15(40)25(50)33(58)26(51)16(8)41/h1H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene?
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene has a molecular weight of 896.34 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrakis(2,3,4,5,6-pentafluorophenyl)cyclopenta-1,4-dien-1-yl]benzene is sourced from PubChem (CID 12040501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).