2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene

C39H25ClF2 — CID 145277083

IUPAC2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene
SMILESFC(F)C1c2ccc(Cl)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C39H25ClF2/c40-28-17-20-32-34(23-28)33-21-24(16-19-31(33)37(32)38(41)42)25-15-18-30-29-13-7-8-14-35(29)39(36(30)22-25,26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23,37-38H
InChIKeyWYWINENIAAIJBZ-UHFFFAOYSA-N
MW567.08 g/mol
LogP10.75
Rot. Bonds4

About 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene

2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene (PubChem CID 145277083) has the molecular formula C39H25ClF2 and a molecular weight of 567.08 g/mol. Its IUPAC name is 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene
PubChem CID145277083
Molecular FormulaC39H25ClF2
Molecular Weight567.08 g/mol
Exact Mass566.16
IUPAC Name2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene
SMILESFC(F)C1c2ccc(Cl)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C39H25ClF2/c40-28-17-20-32-34(23-28)33-21-24(16-19-31(33)37(32)38(41)42)25-15-18-30-29-13-7-8-14-35(29)39(36(30)22-25,26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23,37-38H
InChIKeyWYWINENIAAIJBZ-UHFFFAOYSA-N
XLogP10.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.08
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene?
The IUPAC name of 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene (CID 145277083) is 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene is FC(F)C1c2ccc(Cl)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.
What is the InChIKey of 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene?
The InChIKey is WYWINENIAAIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25ClF2/c40-28-17-20-32-34(23-28)33-21-24(16-19-31(33)37(32)38(41)42)25-15-18-30-29-13-7-8-14-35(29)39(36(30)22-25,26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23,37-38H.
What are the key properties of 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene?
2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene has a molecular weight of 567.08 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-9-(difluoromethyl)-9H-fluoren-3-yl]-9,9-diphenylfluorene is sourced from PubChem (CID 145277083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).