12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C62H34N6S3 — CID 88949813

About 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 88949813) has the molecular formula C62H34N6S3 and a molecular weight of 959.20 g/mol. Its IUPAC name is 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
• PubChem CID: 88949813
• Molecular Formula: C62H34N6S3
• Molecular Weight: 959.20 g/mol
• Exact Mass: 958.20
• IUPAC Name: 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
• SMILES: c1cc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-c5ccc6sc7ccccc7c6c5)n4)c32)c1
• InChI: InChI=1S/C62H34N6S3/c1-6-18-48-38(12-1)42-27-28-50-58(59(42)68(48)57-23-11-17-47(63-57)35-24-29-54-44(32-35)39-13-3-8-20-51(39)69-54)43-16-2-7-19-49(43)67(50)62-65-60(36-25-30-55-45(33-36)40-14-4-9-21-52(40)70-55)64-61(66-62)37-26-31-56-46(34-37)41-15-5-10-22-53(41)71-56/h1-34H
• InChIKey: GTNOIEYOPGAGTG-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 61.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.20
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The IUPAC name of 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 88949813) is 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is c1cc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-c5ccc6sc7ccccc7c6c5)n4)c32)c1.

What is the InChIKey of 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The InChIKey is GTNOIEYOPGAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34N6S3/c1-6-18-48-38(12-1)42-27-28-50-58(59(42)68(48)57-23-11-17-47(63-57)35-24-29-54-44(32-35)39-13-3-8-20-51(39)69-54)43-16-2-7-19-49(43)67(50)62-65-60(36-25-30-55-45(33-36)40-14-4-9-21-52(40)70-55)64-61(66-62)37-26-31-56-46(34-37)41-15-5-10-22-53(41)71-56/h1-34H.

What are the key properties of 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 959.20 g/mol, XLogP of 17.57, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(6-dibenzothiophen-2-yl-2-pyridinyl)-5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88949813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).