3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C208H135N15O4S — CID 158443059

About 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 158443059) has the molecular formula C208H135N15O4S and a molecular weight of 2940.54 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 158443059
• Molecular Formula: C208H135N15O4S
• Molecular Weight: 2940.54 g/mol
• Exact Mass: 2938.05
• IUPAC Name: 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc2c1oc1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c12.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c12.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c45)c3cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)cccc5c34)n2)cc1
• InChI: InChI=1S/2C54H36N4O.C51H30N4OS.C49H33N3O/c1-54(2)43-26-11-9-22-37(43)41-31-42-38-23-10-12-27-45(38)58(47(42)32-44(41)54)46-28-14-24-39-49-40(25-15-29-48(49)59-50(39)46)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-13-20-35(30-36)33-16-5-3-6-17-33;1-54(2)43-23-11-9-19-37(43)41-32-47-42(31-44(41)54)38-20-10-12-24-45(38)58(47)46-25-13-21-39-49-40(22-14-26-48(49)59-50(39)46)53-56-51(35-17-7-4-8-18-35)55-52(57-53)36-29-27-34(28-30-36)33-15-5-3-6-16-33;1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)38-20-12-23-44-47(38)37-19-11-22-43(48(37)56-44)55-41-21-9-7-17-35(41)39-29-33(25-27-42(39)55)34-26-28-46-40(30-34)36-18-8-10-24-45(36)57-46;1-49(2)36-23-11-9-19-32(36)45-37(49)27-28-41-46(45)34-20-10-12-24-40(34)52(41)42-25-13-22-35-44-33(21-14-26-43(44)53-47(35)42)39-29-38(30-15-5-3-6-16-30)50-48(51-39)31-17-7-4-8-18-31/h2*3-32H,1-2H3;1-30H;3-29H,1-2H3
• InChIKey: HDAZFTWIWWBEFV-UHFFFAOYSA-N
• XLogP: 54.37
• TPSA: 214.07 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2940.54
LogP ≤ 5	54.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 158443059) is 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc2c1oc1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c12.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c12.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c45)c3cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)cccc5c34)n2)cc1.

What is the InChIKey of 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is HDAZFTWIWWBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H36N4O.C51H30N4OS.C49H33N3O/c1-54(2)43-26-11-9-22-37(43)41-31-42-38-23-10-12-27-45(38)58(47(42)32-44(41)54)46-28-14-24-39-49-40(25-15-29-48(49)59-50(39)46)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-13-20-35(30-36)33-16-5-3-6-17-33;1-54(2)43-23-11-9-19-37(43)41-32-47-42(31-44(41)54)38-20-10-12-24-45(38)58(47)46-25-13-21-39-49-40(22-14-26-48(49)59-50(39)46)53-56-51(35-17-7-4-8-18-35)55-52(57-53)36-29-27-34(28-30-36)33-15-5-3-6-16-33;1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)38-20-12-23-44-47(38)37-19-11-22-43(48(37)56-44)55-41-21-9-7-17-35(41)39-29-33(25-27-42(39)55)34-26-28-46-40(30-34)36-18-8-10-24-45(36)57-46;1-49(2)36-23-11-9-19-32(36)45-37(49)27-28-41-46(45)34-20-10-12-24-40(34)52(41)42-25-13-22-35-44-33(21-14-26-43(44)53-47(35)42)39-29-38(30-15-5-3-6-16-30)50-48(51-39)31-17-7-4-8-18-31/h2*3-32H,1-2H3;1-30H;3-29H,1-2H3.

What are the key properties of 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2940.54 g/mol, XLogP of 54.37, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158443059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).