4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene

C39H26BrF3 — CID 150894186

IUPAC4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene
SMILESFC(F)(F)c1cc(Br)ccc1Cc1c2c(c(-c3ccccc3)c(-c3ccccc3)c1-c1ccccc1)Cc1ccccc1-2
InChIInChI=1S/C39H26BrF3/c40-30-21-20-29(34(24-30)39(41,42)43)23-33-36(26-14-6-2-7-15-26)37(27-16-8-3-9-17-27)35(25-12-4-1-5-13-25)32-22-28-18-10-11-19-31(28)38(32)33/h1-21,24H,22-23H2
InChIKeyKYQKUNGERSAVSK-UHFFFAOYSA-N
MW631.54 g/mol
LogP11.63
Rot. Bonds5

About 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene

4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene (PubChem CID 150894186) has the molecular formula C39H26BrF3 and a molecular weight of 631.54 g/mol. Its IUPAC name is 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene.

Molecular Properties

Compound Name4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene
PubChem CID150894186
Molecular FormulaC39H26BrF3
Molecular Weight631.54 g/mol
Exact Mass630.12
IUPAC Name4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene
SMILESFC(F)(F)c1cc(Br)ccc1Cc1c2c(c(-c3ccccc3)c(-c3ccccc3)c1-c1ccccc1)Cc1ccccc1-2
InChIInChI=1S/C39H26BrF3/c40-30-21-20-29(34(24-30)39(41,42)43)23-33-36(26-14-6-2-7-15-26)37(27-16-8-3-9-17-27)35(25-12-4-1-5-13-25)32-22-28-18-10-11-19-31(28)38(32)33/h1-21,24H,22-23H2
InChIKeyKYQKUNGERSAVSK-UHFFFAOYSA-N
XLogP11.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.54
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene with MolForge

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Related Compounds

1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene
CID 175138481
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
2-benzyl-3,4-bis(trifluoromethyl)-9H-fluoren-1-amine
CID 150875981
[4-bromo-2-(trifluoromethyl)phenyl]methanesulfinate
CID 174373945
3-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738234
1-bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methyl]-5-phenyl-3-(trifluoromethyl)benzene
CID 86223160
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
2-butyl-1-phenyl-9H-fluorene
CID 154085968

Frequently Asked Questions

What is the IUPAC name of 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene?
The IUPAC name of 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene (CID 150894186) is 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene.
What is the SMILES notation for 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene?
The canonical SMILES for 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene is FC(F)(F)c1cc(Br)ccc1Cc1c2c(c(-c3ccccc3)c(-c3ccccc3)c1-c1ccccc1)Cc1ccccc1-2.
What is the InChIKey of 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene?
The InChIKey is KYQKUNGERSAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26BrF3/c40-30-21-20-29(34(24-30)39(41,42)43)23-33-36(26-14-6-2-7-15-26)37(27-16-8-3-9-17-27)35(25-12-4-1-5-13-25)32-22-28-18-10-11-19-31(28)38(32)33/h1-21,24H,22-23H2.
What are the key properties of 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene?
4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene has a molecular weight of 631.54 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene is sourced from PubChem (CID 150894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).