1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane

C128H87N9O3 — CID 161229807

About 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane

1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane (PubChem CID 161229807) has the molecular formula C128H87N9O3 and a molecular weight of 1799.16 g/mol. Its IUPAC name is 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane.

Molecular Properties

• Compound Name: 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane
• PubChem CID: 161229807
• Molecular Formula: C128H87N9O3
• Molecular Weight: 1799.16 g/mol
• Exact Mass: 1797.69
• IUPAC Name: 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane
• SMILES: C.C.c1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1
• InChI: InChI=1S/2C46H29N3O.C34H21N3O.2CH4/c1-3-13-30(14-4-1)31-15-11-16-32(27-31)40-29-41(33-25-26-37-36-20-8-10-24-43(36)50-44(37)28-33)48-46(47-40)39-22-12-21-38-35-19-7-9-23-42(35)49(45(38)39)34-17-5-2-6-18-34;1-3-12-30(13-4-1)31-22-24-32(25-23-31)39-29-40(36-18-11-21-44-45(36)37-17-8-10-20-43(37)50-44)48-46(47-39)33-26-27-42-38(28-33)35-16-7-9-19-41(35)49(42)34-14-5-2-6-15-34;1-2-11-22(12-3-1)27-21-28(25-16-10-20-32-33(25)26-15-6-9-19-31(26)38-32)36-34(35-27)37-29-17-7-4-13-23(29)24-14-5-8-18-30(24)37;;/h2*1-29H;1-21H;2*1H4
• InChIKey: UYPHVYSJZSUESZ-UHFFFAOYSA-N
• XLogP: 34.36
• TPSA: 131.55 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.16
LogP ≤ 5	34.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane?

The IUPAC name of 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane (CID 161229807) is 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane.

What is the SMILES notation for 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane?

The canonical SMILES for 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane is C.C.c1ccc(-c2cc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.

What is the InChIKey of 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane?

The InChIKey is UYPHVYSJZSUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H29N3O.C34H21N3O.2CH4/c1-3-13-30(14-4-1)31-15-11-16-32(27-31)40-29-41(33-25-26-37-36-20-8-10-24-43(36)50-44(37)28-33)48-46(47-40)39-22-12-21-38-35-19-7-9-23-42(35)49(45(38)39)34-17-5-2-6-18-34;1-3-12-30(13-4-1)31-22-24-32(25-23-31)39-29-40(36-18-11-21-44-45(36)37-17-8-10-20-43(37)50-44)48-46(47-39)33-26-27-42-38(28-33)35-16-7-9-19-41(35)49(42)34-14-5-2-6-15-34;1-2-11-22(12-3-1)27-21-28(25-16-10-20-32-33(25)26-15-6-9-19-31(26)38-32)36-34(35-27)37-29-17-7-4-13-23(29)24-14-5-8-18-30(24)37;;/h2*1-29H;1-21H;2*1H4.

What are the key properties of 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane?

1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane has a molecular weight of 1799.16 g/mol, XLogP of 34.36, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane is sourced from PubChem (CID 161229807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).