1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole

C36H20F6Ge — CID 25194402

IUPAC1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole
SMILESFc1c(F)c2c(c(F)c1-c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1c(F)c(-c3ccccc3)c(F)c(F)c1-2
InChIInChI=1S/C36H20F6Ge/c37-29-25(21-13-5-1-6-14-21)33(41)35-27(31(29)39)28-32(40)30(38)26(22-15-7-2-8-16-22)34(42)36(28)43(35,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyUSPFTSSTMYKCOA-UHFFFAOYSA-N
MW639.15 g/mol
LogP7.21
Rot. Bonds4

About 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole

1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole (PubChem CID 25194402) has the molecular formula C36H20F6Ge and a molecular weight of 639.15 g/mol. Its IUPAC name is 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole.

Molecular Properties

Compound Name1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole
PubChem CID25194402
Molecular FormulaC36H20F6Ge
Molecular Weight639.15 g/mol
Exact Mass640.07
IUPAC Name1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole
SMILESFc1c(F)c2c(c(F)c1-c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1c(F)c(-c3ccccc3)c(F)c(F)c1-2
InChIInChI=1S/C36H20F6Ge/c37-29-25(21-13-5-1-6-14-21)33(41)35-27(31(29)39)28-32(40)30(38)26(22-15-7-2-8-16-22)34(42)36(28)43(35,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyUSPFTSSTMYKCOA-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.15
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole?
The IUPAC name of 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole (CID 25194402) is 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole.
What is the SMILES notation for 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole?
The canonical SMILES for 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole is Fc1c(F)c2c(c(F)c1-c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1c(F)c(-c3ccccc3)c(F)c(F)c1-2.
What is the InChIKey of 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole?
The InChIKey is USPFTSSTMYKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F6Ge/c37-29-25(21-13-5-1-6-14-21)33(41)35-27(31(29)39)28-32(40)30(38)26(22-15-7-2-8-16-22)34(42)36(28)43(35,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole?
1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole has a molecular weight of 639.15 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,8,9-hexafluoro-3,5,5,7-tetraphenylbenzo[b][1]benzogermole is sourced from PubChem (CID 25194402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).