7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid

C38H20F6O10 — CID 19778562

IUPAC7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc3c(cc1O2)C(c1ccccc1)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O3
InChIInChI=1S/C38H20F6O10/c39-37(40,41)35(17-7-3-1-4-8-17)23-11-19(31(45)46)21(33(49)50)13-27(23)53-29-16-26-30(15-25(29)35)54-28-14-22(34(51)52)20(32(47)48)12-24(28)36(26,38(42,43)44)18-9-5-2-6-10-18/h1-16H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyIXVOLBCRIHYOMJ-UHFFFAOYSA-N
MW750.56 g/mol
LogP8.48
Rot. Bonds6

About 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid

7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid (PubChem CID 19778562) has the molecular formula C38H20F6O10 and a molecular weight of 750.56 g/mol. Its IUPAC name is 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid.

Molecular Properties

Compound Name7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid
PubChem CID19778562
Molecular FormulaC38H20F6O10
Molecular Weight750.56 g/mol
Exact Mass750.10
IUPAC Name7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc3c(cc1O2)C(c1ccccc1)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O3
InChIInChI=1S/C38H20F6O10/c39-37(40,41)35(17-7-3-1-4-8-17)23-11-19(31(45)46)21(33(49)50)13-27(23)53-29-16-26-30(15-25(29)35)54-28-14-22(34(51)52)20(32(47)48)12-24(28)36(26,38(42,43)44)18-9-5-2-6-10-18/h1-16H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyIXVOLBCRIHYOMJ-UHFFFAOYSA-N
XLogP8.48
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.56
LogP ≤ 58.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid with MolForge

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Related Compounds

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4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yloxy)-benzoic acid
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CID 54583936
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CID 168270910
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WS 79089C
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CID 12153961
Benzo[k,l]xanthene-3,4-dicarboxylic anhydride
CID 11231535
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CID 22297174
Bis(2-phenylethyl)-6,9,10-trihydroxybenzo(kl)xanthene-1,2-dicarboxylate
CID 44623463
9-Hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxo-1,2-dihydrobenzo[f]chromen-8-yl)-1,4-dioxo-2-naphthyl]-3,3-dimethyl-1,2-dihydrobenzo[f]chromene-7,10-dione
CID 136141551

Frequently Asked Questions

What is the IUPAC name of 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid?
The IUPAC name of 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid (CID 19778562) is 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid.
What is the SMILES notation for 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid?
The canonical SMILES for 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid is O=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc3c(cc1O2)C(c1ccccc1)(C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O3.
What is the InChIKey of 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid?
The InChIKey is IXVOLBCRIHYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F6O10/c39-37(40,41)35(17-7-3-1-4-8-17)23-11-19(31(45)46)21(33(49)50)13-27(23)53-29-16-26-30(15-25(29)35)54-28-14-22(34(51)52)20(32(47)48)12-24(28)36(26,38(42,43)44)18-9-5-2-6-10-18/h1-16H,(H,45,46)(H,47,48)(H,49,50)(H,51,52).
What are the key properties of 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid?
7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid has a molecular weight of 750.56 g/mol, XLogP of 8.48, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-diphenyl-7,14-bis(trifluoromethyl)chromeno[2,3-b]xanthene-2,3,9,10-tetracarboxylic acid is sourced from PubChem (CID 19778562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).