4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione

C131H88N4O12S4Se — CID 165042339

About 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione

4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione (PubChem CID 165042339) has the molecular formula C131H88N4O12S4Se and a molecular weight of 2117.39 g/mol. Its IUPAC name is 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

• Compound Name: 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione
• PubChem CID: 165042339
• Molecular Formula: C131H88N4O12S4Se
• Molecular Weight: 2117.39 g/mol
• Exact Mass: 2116.44
• IUPAC Name: 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione
• SMILES: CC1(C)c2ccccc2N(c2cccc3c(=O)c4cc5c(=O)c6ccccc6sc5cc4oc23)c2ccccc21.O=c1c2ccccc2[se]c2cc3oc4c(N5c6ccccc6Sc6ccccc65)cccc4c(=O)c3cc12.O=c1c2ccccc2oc2cc3oc4c(N(C5CCCCC5)C5CCCCC5)cccc4c(=O)c3cc12.O=c1c2ccccc2sc2cc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12
• InChI: InChI=1S/C35H23NO3S.C32H31NO4.C32H17NO3SSe.C32H17NO2S2/c1-35(2)24-12-4-6-14-26(24)36(27-15-7-5-13-25(27)35)28-16-9-11-21-33(38)22-18-23-31(19-29(22)39-34(21)28)40-30-17-8-3-10-20(30)32(23)37;34-30-22-14-7-8-17-27(22)36-28-19-29-25(18-24(28)30)31(35)23-15-9-16-26(32(23)37-29)33(20-10-3-1-4-11-20)21-12-5-2-6-13-21;34-30-18-8-1-6-15-28(18)38-29-17-25-20(16-21(29)30)31(35)19-9-7-12-24(32(19)36-25)33-22-10-2-4-13-26(22)37-27-14-5-3-11-23(27)33;34-30-20-10-3-6-15-27(20)36-28-17-29-23(16-22(28)30)31(35)21-11-7-14-26(32(21)37-29)33-24-12-4-1-8-18(24)19-9-2-5-13-25(19)33/h3-19H,1-2H3;7-9,14-21H,1-6,10-13H2;1-17H;1-17H
• InChIKey: OIEOMKMOMDHXNJ-UHFFFAOYSA-N
• XLogP: 32.31
• TPSA: 203.77 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.39
LogP ≤ 5	32.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione?

The IUPAC name of 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione (CID 165042339) is 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione.

What is the SMILES notation for 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione?

The canonical SMILES for 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione is CC1(C)c2ccccc2N(c2cccc3c(=O)c4cc5c(=O)c6ccccc6sc5cc4oc23)c2ccccc21.O=c1c2ccccc2[se]c2cc3oc4c(N5c6ccccc6Sc6ccccc65)cccc4c(=O)c3cc12.O=c1c2ccccc2oc2cc3oc4c(N(C5CCCCC5)C5CCCCC5)cccc4c(=O)c3cc12.O=c1c2ccccc2sc2cc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12.

What is the InChIKey of 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione?

The InChIKey is OIEOMKMOMDHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NO3S.C32H31NO4.C32H17NO3SSe.C32H17NO2S2/c1-35(2)24-12-4-6-14-26(24)36(27-15-7-5-13-25(27)35)28-16-9-11-21-33(38)22-18-23-31(19-29(22)39-34(21)28)40-30-17-8-3-10-20(30)32(23)37;34-30-22-14-7-8-17-27(22)36-28-19-29-25(18-24(28)30)31(35)23-15-9-16-26(32(23)37-29)33(20-10-3-1-4-11-20)21-12-5-2-6-13-21;34-30-18-8-1-6-15-28(18)38-29-17-25-20(16-21(29)30)31(35)19-9-7-12-24(32(19)36-25)33-22-10-2-4-13-26(22)37-27-14-5-3-11-23(27)33;34-30-20-10-3-6-15-27(20)36-28-17-29-23(16-22(28)30)31(35)21-11-7-14-26(32(21)37-29)33-24-12-4-1-8-18(24)19-9-2-5-13-25(19)33/h3-19H,1-2H3;7-9,14-21H,1-6,10-13H2;1-17H;1-17H.

What are the key properties of 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione?

4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 2117.39 g/mol, XLogP of 32.31, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-ylthiochromeno[3,2-b]thioxanthene-12,14-dione;4-(dicyclohexylamino)chromeno[3,2-b]xanthene-12,14-dione;4-(9,9-dimethylacridin-10-yl)thiochromeno[3,2-b]xanthene-12,14-dione;4-phenothiazin-10-ylselenochromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 165042339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).