1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene

C42F28 — CID 102195319

About 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene

1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene (PubChem CID 102195319) has the molecular formula C42F28 and a molecular weight of 1036.41 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene.

Molecular Properties

• Compound Name: 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene
• PubChem CID: 102195319
• Molecular Formula: C42F28
• Molecular Weight: 1036.41 g/mol
• Exact Mass: 1035.96
• IUPAC Name: 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene
• SMILES: Fc1c(F)c(F)c(-c2c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(-c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4c(-c4c(F)c(F)c(F)c(F)c4F)c23)c(F)c1F
• InChI: InChI=1S/C42F28/c43-15-7-3(11-19(47)31(59)39(67)32(60)20(11)48)1-2(5(9(7)17(45)29(57)27(15)55)13-23(51)35(63)41(69)36(64)24(13)52)6(14-25(53)37(65)42(70)38(66)26(14)54)10-8(16(44)28(56)30(58)18(10)46)4(1)12-21(49)33(61)40(68)34(62)22(12)50
• InChIKey: BBMJYUNEOSCAQE-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.41
LogP ≤ 5	15.71
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene?

The IUPAC name of 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene (CID 102195319) is 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene.

What is the SMILES notation for 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene?

The canonical SMILES for 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene is Fc1c(F)c(F)c(-c2c3c(F)c(F)c(F)c(F)c3c(-c3c(F)c(F)c(F)c(F)c3F)c3c(-c4c(F)c(F)c(F)c(F)c4F)c4c(F)c(F)c(F)c(F)c4c(-c4c(F)c(F)c(F)c(F)c4F)c23)c(F)c1F.

What is the InChIKey of 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene?

The InChIKey is BBMJYUNEOSCAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42F28/c43-15-7-3(11-19(47)31(59)39(67)32(60)20(11)48)1-2(5(9(7)17(45)29(57)27(15)55)13-23(51)35(63)41(69)36(64)24(13)52)6(14-25(53)37(65)42(70)38(66)26(14)54)10-8(16(44)28(56)30(58)18(10)46)4(1)12-21(49)33(61)40(68)34(62)22(12)50.

What are the key properties of 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene?

1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene has a molecular weight of 1036.41 g/mol, XLogP of 15.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,7,8,9,10-octafluoro-5,6,11,12-tetrakis(2,3,4,5,6-pentafluorophenyl)tetracene is sourced from PubChem (CID 102195319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).