1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene

C61H15F41 — CID 90911433

About 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene (PubChem CID 90911433) has the molecular formula C61H15F41 and a molecular weight of 1526.71 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene.

Molecular Properties

• Compound Name: 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene
• PubChem CID: 90911433
• Molecular Formula: C61H15F41
• Molecular Weight: 1526.71 g/mol
• Exact Mass: 1526.05
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene
• SMILES: Cc1c(F)c(-c2c(F)c(C3=C(F)C(C4=C(F)C(F)C(c5c(F)c(F)c(F)c(F)c5F)C(F)=C4F)=C(F)C(C4C(F)=C(F)C(C5C(F)=C(F)C(F)=C(F)C5F)=C(F)C4F)C3F)c(F)c(C3C(F)=C(F)C(c4c(F)c(F)c(F)c(F)c4F)=C(F)C3F)c2F)c(F)c(F)c1C1=C(F)C(F)C(F)C(F)=C1F
• InChI: InChI=1S/C61H15F41/c1-2-3(4-42(83)50(91)58(99)51(92)43(4)84)28(69)29(70)5(21(2)62)6-22(63)7(24(65)9(23(6)64)12-30(71)36(77)15(37(78)31(12)72)18-44(85)52(93)59(100)53(94)45(18)86)8-25(66)10(13-32(73)38(79)16(39(80)33(13)74)19-46(87)54(95)60(101)55(96)47(19)88)27(68)11(26(8)67)14-34(75)40(81)17(41(82)35(14)76)20-48(89)56(97)61(102)57(98)49(20)90/h10,12-13,17,19,25,30,32,40,46,50,58H,1H3
• InChIKey: NTZCRFZTVKCCJL-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1526.71
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene?

The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene (CID 90911433) is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene.

What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene?

The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene is Cc1c(F)c(-c2c(F)c(C3=C(F)C(C4=C(F)C(F)C(c5c(F)c(F)c(F)c(F)c5F)C(F)=C4F)=C(F)C(C4C(F)=C(F)C(C5C(F)=C(F)C(F)=C(F)C5F)=C(F)C4F)C3F)c(F)c(C3C(F)=C(F)C(c4c(F)c(F)c(F)c(F)c4F)=C(F)C3F)c2F)c(F)c(F)c1C1=C(F)C(F)C(F)C(F)=C1F.

What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene?

The InChIKey is NTZCRFZTVKCCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H15F41/c1-2-3(4-42(83)50(91)58(99)51(92)43(4)84)28(69)29(70)5(21(2)62)6-22(63)7(24(65)9(23(6)64)12-30(71)36(77)15(37(78)31(12)72)18-44(85)52(93)59(100)53(94)45(18)86)8-25(66)10(13-32(73)38(79)16(39(80)33(13)74)19-46(87)54(95)60(101)55(96)47(19)88)27(68)11(26(8)67)14-34(75)40(81)17(41(82)35(14)76)20-48(89)56(97)61(102)57(98)49(20)90/h10,12-13,17,19,25,30,32,40,46,50,58H,1H3.

What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene?

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene has a molecular weight of 1526.71 g/mol, XLogP of 23.37, 9 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-[2,3,5,6-tetrafluoro-4-[2,4,6-trifluoro-3-[2,3,6-trifluoro-5-methyl-4-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)phenyl]-5-[2,4,6-trifluoro-5-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]benzene is sourced from PubChem (CID 90911433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).