9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole

C98H66N10O2 — CID 160544620

About 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole

9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole (PubChem CID 160544620) has the molecular formula C98H66N10O2 and a molecular weight of 1415.67 g/mol. Its IUPAC name is 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole
• PubChem CID: 160544620
• Molecular Formula: C98H66N10O2
• Molecular Weight: 1415.67 g/mol
• Exact Mass: 1414.54
• IUPAC Name: 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccnc3-n3c4ccccc4c4cc(-c5cccc6oc7ccccc7c56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccnc4-n4c5ccccc5c5cc(-c6cccc7oc8ccccc8c67)ccc54)n3)cc2)cc1
• InChI: InChI=1S/C50H31N5O.C48H35N5O/c1-3-13-32(14-4-1)33-24-26-35(27-25-33)48-52-47(34-15-5-2-6-16-34)53-49(54-48)40-20-12-30-51-50(40)55-42-21-9-7-17-38(42)41-31-36(28-29-43(41)55)37-19-11-23-45-46(37)39-18-8-10-22-44(39)56-45;1-48(2,3)33-25-22-31(23-26-33)45-50-44(30-13-5-4-6-14-30)51-46(52-45)37-18-12-28-49-47(37)53-39-19-9-7-15-35(39)38-29-32(24-27-40(38)53)34-17-11-21-42-43(34)36-16-8-10-20-41(36)54-42/h1-31H;4-29H,1-3H3
• InChIKey: QXGJNFDJSXEHNQ-UHFFFAOYSA-N
• XLogP: 24.83
• TPSA: 139.26 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1415.67
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole?

The IUPAC name of 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole (CID 160544620) is 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole.

What is the SMILES notation for 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole?

The canonical SMILES for 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole is CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccnc3-n3c4ccccc4c4cc(-c5cccc6oc7ccccc7c56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccnc4-n4c5ccccc5c5cc(-c6cccc7oc8ccccc8c67)ccc54)n3)cc2)cc1.

What is the InChIKey of 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole?

The InChIKey is QXGJNFDJSXEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O.C48H35N5O/c1-3-13-32(14-4-1)33-24-26-35(27-25-33)48-52-47(34-15-5-2-6-16-34)53-49(54-48)40-20-12-30-51-50(40)55-42-21-9-7-17-38(42)41-31-36(28-29-43(41)55)37-19-11-23-45-46(37)39-18-8-10-22-44(39)56-45;1-48(2,3)33-25-22-31(23-26-33)45-50-44(30-13-5-4-6-14-30)51-46(52-45)37-18-12-28-49-47(37)53-39-19-9-7-15-35(39)38-29-32(24-27-40(38)53)34-17-11-21-42-43(34)36-16-8-10-20-41(36)54-42/h1-31H;4-29H,1-3H3.

What are the key properties of 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole?

9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole has a molecular weight of 1415.67 g/mol, XLogP of 24.83, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-(4-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-3-dibenzofuran-1-ylcarbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 160544620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).