1,2-difluoro-3,4,5,6-tetraphenylbenzene

C30H20F2 — CID 121333819

IUPAC1,2-difluoro-3,4,5,6-tetraphenylbenzene
SMILESFc1c(F)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H20F2/c31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32)24-19-11-4-12-20-24/h1-20H
InChIKeyKOBNUASTVGCNGN-UHFFFAOYSA-N
MW418.49 g/mol
LogP8.63
Rot. Bonds4

About 1,2-difluoro-3,4,5,6-tetraphenylbenzene

1,2-difluoro-3,4,5,6-tetraphenylbenzene (PubChem CID 121333819) has the molecular formula C30H20F2 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1,2-difluoro-3,4,5,6-tetraphenylbenzene.

Molecular Properties

Compound Name1,2-difluoro-3,4,5,6-tetraphenylbenzene
PubChem CID121333819
Molecular FormulaC30H20F2
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name1,2-difluoro-3,4,5,6-tetraphenylbenzene
SMILESFc1c(F)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H20F2/c31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32)24-19-11-4-12-20-24/h1-20H
InChIKeyKOBNUASTVGCNGN-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,4,5,6-tetraphenylbenzene?
The IUPAC name of 1,2-difluoro-3,4,5,6-tetraphenylbenzene (CID 121333819) is 1,2-difluoro-3,4,5,6-tetraphenylbenzene.
What is the SMILES notation for 1,2-difluoro-3,4,5,6-tetraphenylbenzene?
The canonical SMILES for 1,2-difluoro-3,4,5,6-tetraphenylbenzene is Fc1c(F)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2-difluoro-3,4,5,6-tetraphenylbenzene?
The InChIKey is KOBNUASTVGCNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F2/c31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 1,2-difluoro-3,4,5,6-tetraphenylbenzene?
1,2-difluoro-3,4,5,6-tetraphenylbenzene has a molecular weight of 418.49 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3,4,5,6-tetraphenylbenzene is sourced from PubChem (CID 121333819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).