5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]

C31H16F6O — CID 163796128

IUPAC5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)c3ccccc3c1-2
InChIInChI=1S/C31H16F6O/c32-30(33,34)17-13-14-20-23(15-17)29(21-9-3-5-11-26(21)38-27-12-6-4-10-22(27)29)25-16-24(31(35,36)37)18-7-1-2-8-19(18)28(20)25/h1-16H
InChIKeyNAXXWFCBULULGH-UHFFFAOYSA-N
MW518.46 g/mol
LogP9.35
Rot. Bonds

About 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]

5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene] (PubChem CID 163796128) has the molecular formula C31H16F6O and a molecular weight of 518.46 g/mol. Its IUPAC name is 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene].

Molecular Properties

Compound Name5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]
PubChem CID163796128
Molecular FormulaC31H16F6O
Molecular Weight518.46 g/mol
Exact Mass518.11
IUPAC Name5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)c3ccccc3c1-2
InChIInChI=1S/C31H16F6O/c32-30(33,34)17-13-14-20-23(15-17)29(21-9-3-5-11-26(21)38-27-12-6-4-10-22(27)29)25-16-24(31(35,36)37)18-7-1-2-8-19(18)28(20)25/h1-16H
InChIKeyNAXXWFCBULULGH-UHFFFAOYSA-N
XLogP9.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
triphenyl(spiro[benzo[g]fluorene-7,9'-xanthene]-9-yl)silane
CID 171742854
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2-N,7-N-diphenyl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine
CID 126712671
spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,9'-xanthene]
CID 171743028
18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]
CID 118521003
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]
CID 133053903
10,10,12,12-tetraphenyl-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene
CID 122379413

Frequently Asked Questions

What is the IUPAC name of 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
The IUPAC name of 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene] (CID 163796128) is 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene].
What is the SMILES notation for 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
The canonical SMILES for 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene] is FC(F)(F)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(F)(F)F)c3ccccc3c1-2.
What is the InChIKey of 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
The InChIKey is NAXXWFCBULULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16F6O/c32-30(33,34)17-13-14-20-23(15-17)29(21-9-3-5-11-26(21)38-27-12-6-4-10-22(27)29)25-16-24(31(35,36)37)18-7-1-2-8-19(18)28(20)25/h1-16H.
What are the key properties of 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene]?
5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene] has a molecular weight of 518.46 g/mol, XLogP of 9.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-bis(trifluoromethyl)spiro[benzo[c]fluorene-7,9'-xanthene] is sourced from PubChem (CID 163796128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).