3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C186H115N19OS — CID 157375821

IUPAC3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5sc6cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)ccc32)cc1
InChIInChI=1S/C51H30N4OS.C46H28N4.C45H29N5.C44H28N6/c1-3-12-33(13-4-1)49-52-50(34-14-5-2-6-15-34)54-51(53-49)55-43-20-9-7-16-37(43)41-30-47-42(29-44(41)55)39-27-26-35(28-46(39)57-47)31-22-24-32(25-23-31)36-18-11-19-40-38-17-8-10-21-45(38)56-48(36)40;1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-40-26-14-10-21-33(40)34-27-28-39-41(42(34)50)35-22-9-13-25-38(35)46(39)36-23-11-7-19-31(36)32-20-8-12-24-37(32)46;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34;1-2-12-31(13-3-1)49-40-18-6-4-14-32(40)34-26-29(20-22-42(34)49)30-21-23-43-35(27-30)33-15-5-7-19-41(33)50(43)44-47-38(36-16-8-10-24-45-36)28-39(48-44)37-17-9-11-25-46-37/h1-30H;1-28H;1-29H;1-28H
InChIKeyBKHVUBIQFCECLS-UHFFFAOYSA-N
MW2664.16 g/mol
LogP46.08
Rot. Bonds18

About 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 157375821) has the molecular formula C186H115N19OS and a molecular weight of 2664.16 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID157375821
Molecular FormulaC186H115N19OS
Molecular Weight2664.16 g/mol
Exact Mass2661.93
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5sc6cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)ccc32)cc1
InChIInChI=1S/C51H30N4OS.C46H28N4.C45H29N5.C44H28N6/c1-3-12-33(13-4-1)49-52-50(34-14-5-2-6-15-34)54-51(53-49)55-43-20-9-7-16-37(43)41-30-47-42(29-44(41)55)39-27-26-35(28-46(39)57-47)31-22-24-32(25-23-31)36-18-11-19-40-38-17-8-10-21-45(38)56-48(36)40;1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-40-26-14-10-21-33(40)34-27-28-39-41(42(34)50)35-22-9-13-25-38(35)46(39)36-23-11-7-19-31(36)32-20-8-12-24-37(32)46;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34;1-2-12-31(13-3-1)49-40-18-6-4-14-32(40)34-26-29(20-22-42(34)49)30-21-23-43-35(27-30)33-15-5-7-19-41(33)50(43)44-47-38(36-16-8-10-24-45-36)28-39(48-44)37-17-9-11-25-46-37/h1-30H;1-28H;1-29H;1-28H
InChIKeyBKHVUBIQFCECLS-UHFFFAOYSA-N
XLogP46.08
TPSA210.29 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002664.16
LogP ≤ 546.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 157375821) is 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5sc6cc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)ccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)ccc32)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is BKHVUBIQFCECLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS.C46H28N4.C45H29N5.C44H28N6/c1-3-12-33(13-4-1)49-52-50(34-14-5-2-6-15-34)54-51(53-49)55-43-20-9-7-16-37(43)41-30-47-42(29-44(41)55)39-27-26-35(28-46(39)57-47)31-22-24-32(25-23-31)36-18-11-19-40-38-17-8-10-21-45(38)56-48(36)40;1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-40-26-14-10-21-33(40)34-27-28-39-41(42(34)50)35-22-9-13-25-38(35)46(39)36-23-11-7-19-31(36)32-20-8-12-24-37(32)46;1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34;1-2-12-31(13-3-1)49-40-18-6-4-14-32(40)34-26-29(20-22-42(34)49)30-21-23-43-35(27-30)33-15-5-7-19-41(33)50(43)44-47-38(36-16-8-10-24-45-36)28-39(48-44)37-17-9-11-25-46-37/h1-30H;1-28H;1-29H;1-28H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 2664.16 g/mol, XLogP of 46.08, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];3-[9-(4,6-dipyridin-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 157375821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).