(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane

C34BF25 — CID 141052222

About (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane

(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane (PubChem CID 141052222) has the molecular formula C34BF25 and a molecular weight of 894.14 g/mol. Its IUPAC name is (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane.

Molecular Properties

• Compound Name: (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
• PubChem CID: 141052222
• Molecular Formula: C34BF25
• Molecular Weight: 894.14 g/mol
• Exact Mass: 893.97
• IUPAC Name: (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
• SMILES: FC1=C(F)C(F)(B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c2c(F)c(F)c(F)c(F)c21
• InChI: InChI=1S/C34BF25/c36-11-1-2-8(19(44)29(54)23(48)12(2)37)34(59,60)6(1)10(21(46)22(11)47)35(33(58)7-5(17(42)32(33)57)16(41)27(52)28(53)18(7)43)9-3(13(38)24(49)30(55)20(9)45)4-14(39)25(50)31(56)26(51)15(4)40
• InChIKey: XGCONJITOSPIRN-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.14
LogP ≤ 5	10.89
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?

The IUPAC name of (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane (CID 141052222) is (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane.

What is the SMILES notation for (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?

The canonical SMILES for (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane is FC1=C(F)C(F)(B(c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c2c(F)c(F)c(F)c(F)c21.

What is the InChIKey of (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?

The InChIKey is XGCONJITOSPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34BF25/c36-11-1-2-8(19(44)29(54)23(48)12(2)37)34(59,60)6(1)10(21(46)22(11)47)35(33(58)7-5(17(42)32(33)57)16(41)27(52)28(53)18(7)43)9-3(13(38)24(49)30(55)20(9)45)4-14(39)25(50)31(56)26(51)15(4)40.

What are the key properties of (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?

(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane has a molecular weight of 894.14 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane is sourced from PubChem (CID 141052222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).