11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C60H35N7OS — CID 147613320

About 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 147613320) has the molecular formula C60H35N7OS and a molecular weight of 902.06 g/mol. Its IUPAC name is 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 147613320
• Molecular Formula: C60H35N7OS
• Molecular Weight: 902.06 g/mol
• Exact Mass: 901.26
• IUPAC Name: 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C60H35N7OS/c1-4-16-36(17-5-1)55-62-58(64-59(63-55)40-29-31-54-46(32-40)43-24-12-15-27-53(43)69-54)39-28-30-49(47(33-39)60-65-56(37-18-6-2-7-19-37)61-57(66-60)38-20-8-3-9-21-38)67-48-25-13-10-22-41(48)44-35-52-45(34-50(44)67)42-23-11-14-26-51(42)68-52/h1-35H
• InChIKey: GCKPSOVIGYHHEC-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 95.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.06
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 147613320) is 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.

What is the InChIKey of 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is GCKPSOVIGYHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N7OS/c1-4-16-36(17-5-1)55-62-58(64-59(63-55)40-29-31-54-46(32-40)43-24-12-15-27-53(43)69-54)39-28-30-49(47(33-39)60-65-56(37-18-6-2-7-19-37)61-57(66-60)38-20-8-3-9-21-38)67-48-25-13-10-22-41(48)44-35-52-45(34-50(44)67)42-23-11-14-26-51(42)68-52/h1-35H.

What are the key properties of 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?

11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 902.06 g/mol, XLogP of 15.42, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 147613320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).