3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene

C27H16F6O — CID 71346281

IUPAC3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
SMILESFC(F)(F)c1cccc(C2(c3cccc(C(F)(F)F)c3)C=Cc3c(ccc4ccccc34)O2)c1
InChIInChI=1S/C27H16F6O/c28-26(29,30)20-8-3-6-18(15-20)25(19-7-4-9-21(16-19)27(31,32)33)14-13-23-22-10-2-1-5-17(22)11-12-24(23)34-25/h1-16H
InChIKeyWUIAGTJYSCPKMJ-UHFFFAOYSA-N
MW470.41 g/mol
LogP8.23
Rot. Bonds2

About 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene

3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene (PubChem CID 71346281) has the molecular formula C27H16F6O and a molecular weight of 470.41 g/mol. Its IUPAC name is 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene.

Molecular Properties

Compound Name3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
PubChem CID71346281
Molecular FormulaC27H16F6O
Molecular Weight470.41 g/mol
Exact Mass470.11
IUPAC Name3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
SMILESFC(F)(F)c1cccc(C2(c3cccc(C(F)(F)F)c3)C=Cc3c(ccc4ccccc34)O2)c1
InChIInChI=1S/C27H16F6O/c28-26(29,30)20-8-3-6-18(15-20)25(19-7-4-9-21(16-19)27(31,32)33)14-13-23-22-10-2-1-5-17(22)11-12-24(23)34-25/h1-16H
InChIKeyWUIAGTJYSCPKMJ-UHFFFAOYSA-N
XLogP8.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
CID 10527161
CID 10527161
methyl 6-acetyloxy-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate
CID 23371125
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
CID 100954914
3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
CID 139694625
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(3,3-diphenylbenzo[f]chromen-8-yl)ethyl]-3,3-diphenylbenzo[f]chromene
CID 101369749

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene?
The IUPAC name of 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene (CID 71346281) is 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene.
What is the SMILES notation for 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene?
The canonical SMILES for 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene is FC(F)(F)c1cccc(C2(c3cccc(C(F)(F)F)c3)C=Cc3c(ccc4ccccc34)O2)c1.
What is the InChIKey of 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene?
The InChIKey is WUIAGTJYSCPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F6O/c28-26(29,30)20-8-3-6-18(15-20)25(19-7-4-9-21(16-19)27(31,32)33)14-13-23-22-10-2-1-5-17(22)11-12-24(23)34-25/h1-16H.
What are the key properties of 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene?
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene has a molecular weight of 470.41 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene is sourced from PubChem (CID 71346281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).