12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid

C38H20F6O10 — CID 19778558

IUPAC12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc3c(cc1O2)Oc1cc(C(=O)O)c(C(=O)O)cc1C3(c1ccccc1)C(F)(F)F
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)53-29-16-30-26(15-25(29)35)36(38(42,43)44,18-9-5-2-6-10-18)24-12-20(32(47)48)22(34(51)52)14-28(24)54-30/h1-16H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyCJSYRBGWKQQVOW-UHFFFAOYSA-N
MW750.56 g/mol
LogP8.48
Rot. Bonds6

About 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid

12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid (PubChem CID 19778558) has the molecular formula C38H20F6O10 and a molecular weight of 750.56 g/mol. Its IUPAC name is 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid.

Molecular Properties

Compound Name12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid
PubChem CID19778558
Molecular FormulaC38H20F6O10
Molecular Weight750.56 g/mol
Exact Mass750.10
IUPAC Name12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid
SMILESO=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc3c(cc1O2)Oc1cc(C(=O)O)c(C(=O)O)cc1C3(c1ccccc1)C(F)(F)F
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)53-29-16-30-26(15-25(29)35)36(38(42,43)44,18-9-5-2-6-10-18)24-12-20(32(47)48)22(34(51)52)14-28(24)54-30/h1-16H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
InChIKeyCJSYRBGWKQQVOW-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 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid?
The IUPAC name of 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid (CID 19778558) is 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid.
What is the SMILES notation for 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid?
The canonical SMILES for 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid is O=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)F)c1cc3c(cc1O2)Oc1cc(C(=O)O)c(C(=O)O)cc1C3(c1ccccc1)C(F)(F)F.
What is the InChIKey of 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid?
The InChIKey is CJSYRBGWKQQVOW-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)53-29-16-30-26(15-25(29)35)36(38(42,43)44,18-9-5-2-6-10-18)24-12-20(32(47)48)22(34(51)52)14-28(24)54-30/h1-16H,(H,45,46)(H,47,48)(H,49,50)(H,51,52).
What are the key properties of 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid?
12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-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 12,14-diphenyl-12,14-bis(trifluoromethyl)chromeno[3,2-b]xanthene-2,3,9,10-tetracarboxylic acid is sourced from PubChem (CID 19778558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).