5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]

C64H38N4OS — CID 129133129

About 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]

5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene] (PubChem CID 129133129) has the molecular formula C64H38N4OS and a molecular weight of 911.10 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene].

Molecular Properties

• Compound Name: 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]
• PubChem CID: 129133129
• Molecular Formula: C64H38N4OS
• Molecular Weight: 911.10 g/mol
• Exact Mass: 910.28
• IUPAC Name: 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]
• SMILES: c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/C64H38N4OS/c1-4-17-39(18-5-1)42-31-33-57-53(35-42)64(54-36-43(32-34-58(54)69-57)40-19-6-2-7-20-40)51-28-13-10-23-44(51)49-38-56-50(37-52(49)64)45-24-11-14-29-55(45)68(56)63-66-61(41-21-8-3-9-22-41)65-62(67-63)48-27-16-26-47-46-25-12-15-30-59(46)70-60(47)48/h1-38H
• InChIKey: FYZCHIYJYVMKQG-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 52.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.10
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]?

The IUPAC name of 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene] (CID 129133129) is 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene].

What is the SMILES notation for 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]?

The canonical SMILES for 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene] is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]?

The InChIKey is FYZCHIYJYVMKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4OS/c1-4-17-39(18-5-1)42-31-33-57-53(35-42)64(54-36-43(32-34-58(54)69-57)40-19-6-2-7-20-40)51-28-13-10-23-44(51)49-38-56-50(37-52(49)64)45-24-11-14-29-55(45)68(56)63-66-61(41-21-8-3-9-22-41)65-62(67-63)48-27-16-26-47-46-25-12-15-30-59(46)70-60(47)48/h1-38H.

What are the key properties of 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]?

5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene] has a molecular weight of 911.10 g/mol, XLogP of 16.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2',7'-diphenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene] is sourced from PubChem (CID 129133129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).