3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole

C94H60N6O — CID 161237045

About 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 161237045) has the molecular formula C94H60N6O and a molecular weight of 1289.56 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 161237045
• Molecular Formula: C94H60N6O
• Molecular Weight: 1289.56 g/mol
• Exact Mass: 1288.48
• IUPAC Name: 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1
• InChI: InChI=1S/C48H30N2O.C46H30N4/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-10-20-36(43)38-26-24-34(29-45(38)50)33-25-27-44-39(28-33)37-21-11-12-22-42(37)49(44)35-18-8-3-9-19-35/h1-30H;1-30H
• InChIKey: UZMYSRRWFWLHEH-UHFFFAOYSA-N
• XLogP: 24.79
• TPSA: 58.64 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1289.56
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole (CID 161237045) is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1.

What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?

The InChIKey is UZMYSRRWFWLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C46H30N4/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-10-20-36(43)38-26-24-34(29-45(38)50)33-25-27-44-39(28-33)37-21-11-12-22-42(37)49(44)35-18-8-3-9-19-35/h1-30H;1-30H.

What are the key properties of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1289.56 g/mol, XLogP of 24.79, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 161237045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).