5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole

C61H35N5OS — CID 155034514

About 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole

5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole (PubChem CID 155034514) has the molecular formula C61H35N5OS and a molecular weight of 886.05 g/mol. Its IUPAC name is 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
• PubChem CID: 155034514
• Molecular Formula: C61H35N5OS
• Molecular Weight: 886.05 g/mol
• Exact Mass: 885.26
• IUPAC Name: 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc6sc7ccccc7c6cc5-n5c6ccccc6c6cc7ccccc7cc65)n4)cc32)cc1
• InChI: InChI=1S/C61H35N5OS/c1-2-16-40(17-3-1)65-50-22-10-6-18-41(50)43-28-26-39(33-52(43)65)60-62-59(38-27-29-56-47(31-38)44-20-8-12-24-55(44)67-56)63-61(64-60)49-35-58-48(45-21-9-13-25-57(45)68-58)34-54(49)66-51-23-11-7-19-42(51)46-30-36-14-4-5-15-37(36)32-53(46)66/h1-35H
• InChIKey: UHVXVZLYQCHBRN-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 61.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.05
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole?

The IUPAC name of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole (CID 155034514) is 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole?

The canonical SMILES for 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc6sc7ccccc7c6cc5-n5c6ccccc6c6cc7ccccc7cc65)n4)cc32)cc1.

What is the InChIKey of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole?

The InChIKey is UHVXVZLYQCHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5OS/c1-2-16-40(17-3-1)65-50-22-10-6-18-41(50)43-28-26-39(33-52(43)65)60-62-59(38-27-29-56-47(31-38)44-20-8-12-24-55(44)67-56)63-61(64-60)49-35-58-48(45-21-9-13-25-57(45)68-58)34-54(49)66-51-23-11-7-19-42(51)46-30-36-14-4-5-15-37(36)32-53(46)66/h1-35H.

What are the key properties of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole?

5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole has a molecular weight of 886.05 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155034514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).