2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine

C52F36N2 — CID 58820640

IUPAC2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(-c3nc(-c4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)c(-c4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)nc3-c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C52F36N2/c53-13-1(5-21(61)37(77)45(85)38(78)22(5)62)14(54)30(70)9(29(13)69)49-50(10-31(71)15(55)2(16(56)32(10)72)6-23(63)39(79)46(86)40(80)24(6)64)90-52(12-35(75)19(59)4(20(60)36(12)76)8-27(67)43(83)48(88)44(84)28(8)68)51(89-49)11-33(73)17(57)3(18(58)34(11)74)7-25(65)41(81)47(87)42(82)26(7)66
InChIKeyIINZXKRYNKEFQS-UHFFFAOYSA-N
MW1336.51 g/mol
LogP18.82
Rot. Bonds8

About 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine

2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine (PubChem CID 58820640) has the molecular formula C52F36N2 and a molecular weight of 1336.51 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
PubChem CID58820640
Molecular FormulaC52F36N2
Molecular Weight1336.51 g/mol
Exact Mass1335.95
IUPAC Name2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(-c3nc(-c4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)c(-c4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)nc3-c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C52F36N2/c53-13-1(5-21(61)37(77)45(85)38(78)22(5)62)14(54)30(70)9(29(13)69)49-50(10-31(71)15(55)2(16(56)32(10)72)6-23(63)39(79)46(86)40(80)24(6)64)90-52(12-35(75)19(59)4(20(60)36(12)76)8-27(67)43(83)48(88)44(84)28(8)68)51(89-49)11-33(73)17(57)3(18(58)34(11)74)7-25(65)41(81)47(87)42(82)26(7)66
InChIKeyIINZXKRYNKEFQS-UHFFFAOYSA-N
XLogP18.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001336.51
LogP ≤ 518.82
H-Bond Donors ≤ 50
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'}

Analyze 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine (CID 58820640) is 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine is Fc1c(F)c(F)c(-c2c(F)c(F)c(-c3nc(-c4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)c(-c4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)nc3-c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine?
The InChIKey is IINZXKRYNKEFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52F36N2/c53-13-1(5-21(61)37(77)45(85)38(78)22(5)62)14(54)30(70)9(29(13)69)49-50(10-31(71)15(55)2(16(56)32(10)72)6-23(63)39(79)46(86)40(80)24(6)64)90-52(12-35(75)19(59)4(20(60)36(12)76)8-27(67)43(83)48(88)44(84)28(8)68)51(89-49)11-33(73)17(57)3(18(58)34(11)74)7-25(65)41(81)47(87)42(82)26(7)66.
What are the key properties of 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine?
2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine has a molecular weight of 1336.51 g/mol, XLogP of 18.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine is sourced from PubChem (CID 58820640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).