8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C111H63N21OS2 — CID 157494038

About 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157494038) has the molecular formula C111H63N21OS2 and a molecular weight of 1771.00 g/mol. Its IUPAC name is 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 157494038
• Molecular Formula: C111H63N21OS2
• Molecular Weight: 1771.00 g/mol
• Exact Mass: 1769.50
• IUPAC Name: 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc2c(c1)oc1cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)c12.c1ccc2c(c1)sc1c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)cccc12.c1ccc2c(c1)sc1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)ccc12
• InChI: InChI=1S/C37H21N7O.2C37H21N7S/c1-4-16-28-22(10-1)23-11-2-5-17-29(23)43(28)36-40-33(27-13-7-19-31-32(27)26-12-3-6-18-30(26)45-31)41-37(42-36)44-34-24(14-8-20-38-34)25-15-9-21-39-35(25)44;1-4-17-29-22(10-1)23-11-2-5-18-30(23)43(29)36-40-33(28-14-7-13-25-24-12-3-6-19-31(24)45-32(25)28)41-37(42-36)44-34-26(15-8-20-38-34)27-16-9-21-39-35(27)44;1-4-14-29-23(9-1)24-10-2-5-15-30(24)43(29)36-40-33(22-17-18-26-25-11-3-6-16-31(25)45-32(26)21-22)41-37(42-36)44-34-27(12-7-19-38-34)28-13-8-20-39-35(28)44/h3*1-21H
• InChIKey: BXPNJEQPFCBZMV-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 236.07 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1771.00
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157494038) is 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)oc1cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)c12.c1ccc2c(c1)sc1c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)cccc12.c1ccc2c(c1)sc1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)ccc12.

What is the InChIKey of 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is BXPNJEQPFCBZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N7O.2C37H21N7S/c1-4-16-28-22(10-1)23-11-2-5-17-29(23)43(28)36-40-33(27-13-7-19-31-32(27)26-12-3-6-18-30(26)45-31)41-37(42-36)44-34-24(14-8-20-38-34)25-15-9-21-39-35(25)44;1-4-17-29-22(10-1)23-11-2-5-18-30(23)43(29)36-40-33(28-14-7-13-25-24-12-3-6-19-31(24)45-32(25)28)41-37(42-36)44-34-26(15-8-20-38-34)27-16-9-21-39-35(27)44;1-4-14-29-23(9-1)24-10-2-5-15-30(24)43(29)36-40-33(22-17-18-26-25-11-3-6-16-31(25)45-32(26)21-22)41-37(42-36)44-34-27(12-7-19-38-34)28-13-8-20-39-35(28)44/h3*1-21H.

What are the key properties of 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1771.00 g/mol, XLogP of 26.20, 9 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157494038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).