3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C130H82N12OS — CID 157100667

About 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 157100667) has the molecular formula C130H82N12OS and a molecular weight of 1860.24 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 157100667
• Molecular Formula: C130H82N12OS
• Molecular Weight: 1860.24 g/mol
• Exact Mass: 1858.65
• IUPAC Name: 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)n4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)n2)cc1
• InChI: InChI=1S/C46H29N3O.C45H29N5.C39H24N4S/c1-2-10-30(11-3-1)33-12-8-13-34(28-33)31-20-22-32(23-21-31)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)40-29-35(24-25-43(40)49)36-16-9-17-39-38-15-5-7-19-44(38)50-45(36)39;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;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)43-33-20-9-7-16-29(33)30-23-22-27(24-34(30)43)28-18-11-19-32-31-17-8-10-21-35(31)44-36(28)32/h2*1-29H;1-24H
• InChIKey: AFSOTRGKGFSFMF-UHFFFAOYSA-N
• XLogP: 33.55
• TPSA: 135.98 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.24
LogP ≤ 5	33.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 157100667) is 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)n4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)n2)cc1.

What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is AFSOTRGKGFSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.C45H29N5.C39H24N4S/c1-2-10-30(11-3-1)33-12-8-13-34(28-33)31-20-22-32(23-21-31)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)40-29-35(24-25-43(40)49)36-16-9-17-39-38-15-5-7-19-44(38)50-45(36)39;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;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)43-33-20-9-7-16-29(33)30-23-22-27(24-34(30)43)28-18-11-19-32-31-17-8-10-21-35(31)44-36(28)32/h2*1-29H;1-24H.

What are the key properties of 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?

3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1860.24 g/mol, XLogP of 33.55, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 157100667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).