2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene

C35H29F — CID 151991768

IUPAC2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
SMILESCc1cc(C)cc(-c2cc3c(c(-c4ccc(F)cc4)c2-c2cc(C)cc(C)c2)Cc2ccccc2-3)c1
InChIInChI=1S/C35H29F/c1-21-13-22(2)16-27(15-21)31-20-32-30-8-6-5-7-26(30)19-33(32)34(25-9-11-29(36)12-10-25)35(31)28-17-23(3)14-24(4)18-28/h5-18,20H,19H2,1-4H3
InChIKeyUEVBHVYBLOVPBA-UHFFFAOYSA-N
MW468.62 g/mol
LogP9.63
Rot. Bonds3

About 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene

2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene (PubChem CID 151991768) has the molecular formula C35H29F and a molecular weight of 468.62 g/mol. Its IUPAC name is 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene.

Molecular Properties

Compound Name2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
PubChem CID151991768
Molecular FormulaC35H29F
Molecular Weight468.62 g/mol
Exact Mass468.23
IUPAC Name2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
SMILESCc1cc(C)cc(-c2cc3c(c(-c4ccc(F)cc4)c2-c2cc(C)cc(C)c2)Cc2ccccc2-3)c1
InChIInChI=1S/C35H29F/c1-21-13-22(2)16-27(15-21)31-20-32-30-8-6-5-7-26(30)19-33(32)34(25-9-11-29(36)12-10-25)35(31)28-17-23(3)14-24(4)18-28/h5-18,20H,19H2,1-4H3
InChIKeyUEVBHVYBLOVPBA-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
CID 143811504
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-methylbenzenesulfonic acid;3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-diphenyl-9H-fluorene
CID 172859889
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
1,2,3-tris(4-methylphenyl)-9H-thioxanthene
CID 159767836
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
CID 53392838
N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
CID 175031439
4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran
CID 158623071
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene?
The IUPAC name of 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene (CID 151991768) is 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene.
What is the SMILES notation for 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene?
The canonical SMILES for 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene is Cc1cc(C)cc(-c2cc3c(c(-c4ccc(F)cc4)c2-c2cc(C)cc(C)c2)Cc2ccccc2-3)c1.
What is the InChIKey of 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene?
The InChIKey is UEVBHVYBLOVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F/c1-21-13-22(2)16-27(15-21)31-20-32-30-8-6-5-7-26(30)19-33(32)34(25-9-11-29(36)12-10-25)35(31)28-17-23(3)14-24(4)18-28/h5-18,20H,19H2,1-4H3.
What are the key properties of 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene?
2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene has a molecular weight of 468.62 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene is sourced from PubChem (CID 151991768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).