3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C64H38N4O — CID 154602219

About 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]

3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 154602219) has the molecular formula C64H38N4O and a molecular weight of 879.03 g/mol. Its IUPAC name is 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

• Compound Name: 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• PubChem CID: 154602219
• Molecular Formula: C64H38N4O
• Molecular Weight: 879.03 g/mol
• Exact Mass: 878.30
• IUPAC Name: 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)-c5ccccc5C75c6ccccc6-c6ccccc65)cc34)n2)cc1
• InChI: InChI=1S/C64H38N4O/c1-4-17-39(18-5-1)61-65-62(40-19-6-2-7-20-40)67-63(66-61)49-27-16-26-47-51-38-42(32-36-57(51)69-60(47)49)41-31-35-56-50(37-41)46-33-34-55-58(59(46)68(56)43-21-8-3-9-22-43)48-25-12-15-30-54(48)64(55)52-28-13-10-23-44(52)45-24-11-14-29-53(45)64/h1-38H
• InChIKey: LNCZBBUDNUPECJ-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.03
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The IUPAC name of 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 154602219) is 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole].

What is the SMILES notation for 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The canonical SMILES for 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)-c5ccccc5C75c6ccccc6-c6ccccc65)cc34)n2)cc1.

What is the InChIKey of 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The InChIKey is LNCZBBUDNUPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4O/c1-4-17-39(18-5-1)61-65-62(40-19-6-2-7-20-40)67-63(66-61)49-27-16-26-47-51-38-42(32-36-57(51)69-60(47)49)41-31-35-56-50(37-41)46-33-34-55-58(59(46)68(56)43-21-8-3-9-22-43)48-25-12-15-30-54(48)64(55)52-28-13-10-23-44(52)45-24-11-14-29-53(45)64/h1-38H.

What are the key properties of 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 879.03 g/mol, XLogP of 15.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 154602219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).