10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

C89H53N9O2S — CID 163779157

About 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 163779157) has the molecular formula C89H53N9O2S and a molecular weight of 1312.53 g/mol. Its IUPAC name is 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 163779157
• Molecular Formula: C89H53N9O2S
• Molecular Weight: 1312.53 g/mol
• Exact Mass: 1311.40
• IUPAC Name: 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccnc4)nc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C45H26N4OS.C44H27N5O/c1-3-11-27(12-4-1)43-46-44(28-20-24-40-35(25-28)32-15-8-10-18-39(32)51-40)48-45(47-43)29-19-21-31-33-22-23-37-41(42(33)50-38(31)26-29)34-16-7-9-17-36(34)49(37)30-13-5-2-6-14-30;1-3-11-28(12-4-1)29-13-9-14-30(25-29)42-46-43(48-44(47-42)32-15-10-24-45-27-32)31-20-21-34-35-22-23-38-40(41(35)50-39(34)26-31)36-18-7-8-19-37(36)49(38)33-16-5-2-6-17-33/h1-26H;1-27H
• InChIKey: MNCLXPIACCMEOM-UHFFFAOYSA-N
• XLogP: 23.17
• TPSA: 126.37 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1312.53
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 163779157) is 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccnc4)nc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.

What is the InChIKey of 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is MNCLXPIACCMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS.C44H27N5O/c1-3-11-27(12-4-1)43-46-44(28-20-24-40-35(25-28)32-15-8-10-18-39(32)51-40)48-45(47-43)29-19-21-31-33-22-23-37-41(42(33)50-38(31)26-29)34-16-7-9-17-36(34)49(37)30-13-5-2-6-14-30;1-3-11-28(12-4-1)29-13-9-14-30(25-29)42-46-43(48-44(47-42)32-15-10-24-45-27-32)31-20-21-34-35-22-23-38-40(41(35)50-39(34)26-31)36-18-7-8-19-37(36)49(38)33-16-5-2-6-17-33/h1-26H;1-27H.

What are the key properties of 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?

10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1312.53 g/mol, XLogP of 23.17, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;5-phenyl-10-[4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163779157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).