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

C65H37N5OS — CID 164715068

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

5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (PubChem CID 164715068) has the molecular formula C65H37N5OS and a molecular weight of 936.11 g/mol. Its IUPAC name is 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• PubChem CID: 164715068
• Molecular Formula: C65H37N5OS
• Molecular Weight: 936.11 g/mol
• Exact Mass: 935.27
• IUPAC Name: 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cccc6c5sc5ccccc56)nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7cc8ccccc8cc7c56)n4)c32)cc1
• InChI: InChI=1S/C65H37N5OS/c1-2-20-42(21-3-1)70-55-30-12-8-22-44(55)47-25-14-27-49(61(47)70)63-66-64(50-28-15-26-48-46-24-10-13-31-59(46)72-62(48)50)68-65(67-63)53-36-43(37-58-60(53)52-33-39-17-5-7-19-41(39)35-57(52)71-58)69-54-29-11-9-23-45(54)51-32-38-16-4-6-18-40(38)34-56(51)69/h1-37H
• InChIKey: CWPGBLAQVKBDKJ-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 61.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.11
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole (CID 164715068) is 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cccc6c5sc5ccccc56)nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7cc8ccccc8cc7c56)n4)c32)cc1.

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

The InChIKey is CWPGBLAQVKBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N5OS/c1-2-20-42(21-3-1)70-55-30-12-8-22-44(55)47-25-14-27-49(61(47)70)63-66-64(50-28-15-26-48-46-24-10-13-31-59(46)72-62(48)50)68-65(67-63)53-36-43(37-58-60(53)52-33-39-17-5-7-19-41(39)35-57(52)71-58)69-54-29-11-9-23-45(54)51-32-38-16-4-6-18-40(38)34-56(51)69/h1-37H.

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

5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole has a molecular weight of 936.11 g/mol, XLogP of 17.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-dibenzothiophen-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 164715068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).