3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene

C38H23ClF2 — CID 134271931

IUPAC3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene
SMILESFC1(F)c2ccc(Cl)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C38H23ClF2/c39-28-17-20-35-32(23-28)31-21-24(16-19-34(31)38(35,40)41)25-15-18-30-29-13-7-8-14-33(29)37(36(30)22-25,26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23H
InChIKeyDODGDYZZEYOVBH-UHFFFAOYSA-N
MW553.05 g/mol
LogP10.49
Rot. Bonds3

About 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene

3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene (PubChem CID 134271931) has the molecular formula C38H23ClF2 and a molecular weight of 553.05 g/mol. Its IUPAC name is 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene.

Molecular Properties

Compound Name3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene
PubChem CID134271931
Molecular FormulaC38H23ClF2
Molecular Weight553.05 g/mol
Exact Mass552.15
IUPAC Name3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene
SMILESFC1(F)c2ccc(Cl)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C38H23ClF2/c39-28-17-20-35-32(23-28)31-21-24(16-19-34(31)38(35,40)41)25-15-18-30-29-13-7-8-14-33(29)37(36(30)22-25,26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23H
InChIKeyDODGDYZZEYOVBH-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.05
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene?
The IUPAC name of 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene (CID 134271931) is 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene.
What is the SMILES notation for 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene?
The canonical SMILES for 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene is FC1(F)c2ccc(Cl)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.
What is the InChIKey of 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene?
The InChIKey is DODGDYZZEYOVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23ClF2/c39-28-17-20-35-32(23-28)31-21-24(16-19-34(31)38(35,40)41)25-15-18-30-29-13-7-8-14-33(29)37(36(30)22-25,26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23H.
What are the key properties of 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene?
3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene has a molecular weight of 553.05 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene is sourced from PubChem (CID 134271931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).