2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene

C24H21F3O — CID 15180812

IUPAC2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(c1ccccc1)(C(F)(F)F)c1cc(C)c(C)cc1O2
InChIInChI=1S/C24H21F3O/c1-14-10-19-21(12-16(14)3)28-22-13-17(4)15(2)11-20(22)23(19,24(25,26)27)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyDMSIZYLMPQILRK-UHFFFAOYSA-N
MW382.43 g/mol
LogP6.92
Rot. Bonds1

About 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene

2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene (PubChem CID 15180812) has the molecular formula C24H21F3O and a molecular weight of 382.43 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene
PubChem CID15180812
Molecular FormulaC24H21F3O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene
SMILESCc1cc2c(cc1C)C(c1ccccc1)(C(F)(F)F)c1cc(C)c(C)cc1O2
InChIInChI=1S/C24H21F3O/c1-14-10-19-21(12-16(14)3)28-22-13-17(4)15(2)11-20(22)23(19,24(25,26)27)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyDMSIZYLMPQILRK-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-9,9-bis(trifluoromethyl)xanthene
CID 142358340
2,3,6,7-tetramethyl-9,9-bis(trifluoromethyl)xanthene
CID 15180803
2,3,6,7-tetramethyl-9-(1,1,2,2,2-pentafluoroethyl)-9-(trifluoromethyl)xanthene
CID 15180817
9-(difluoromethyl)-2,3,6,7-tetramethyl-9-(trifluoromethyl)xanthene
CID 121279075
12-pyridin-4-yl-12-(trifluoromethyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone
CID 155767616
2-phenyl-2-(trifluoromethyl)-8-oxatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene-7,9-dione
CID 141229863
1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 135042934
9-[3,5-bis(trifluoromethyl)phenyl]-9-(trifluoromethyl)xanthene-2,7-diol
CID 71681967
9,9-bis(3-methylphenyl)xanthene
CID 23542272
2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
14,14,18,18-tetrakis(trifluoromethyl)-4,9,23,28-tetraoxaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(17),2,5(13),6,11,15,19(27),20,25-nonaene-8,10,22,24-tetrone
CID 54033498
3,6-dichloro-9-phenylxanthen-9-ol
CID 159187937

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene?
The IUPAC name of 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene (CID 15180812) is 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene.
What is the SMILES notation for 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene?
The canonical SMILES for 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene is Cc1cc2c(cc1C)C(c1ccccc1)(C(F)(F)F)c1cc(C)c(C)cc1O2.
What is the InChIKey of 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene?
The InChIKey is DMSIZYLMPQILRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3O/c1-14-10-19-21(12-16(14)3)28-22-13-17(4)15(2)11-20(22)23(19,24(25,26)27)18-8-6-5-7-9-18/h5-13H,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene?
2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene has a molecular weight of 382.43 g/mol, XLogP of 6.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-9-phenyl-9-(trifluoromethyl)xanthene is sourced from PubChem (CID 15180812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).