11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole

C70H46N4 — CID 143873592

About 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole

11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole (PubChem CID 143873592) has the molecular formula C70H46N4 and a molecular weight of 943.17 g/mol. Its IUPAC name is 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole.

Molecular Properties

• Compound Name: 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
• PubChem CID: 143873592
• Molecular Formula: C70H46N4
• Molecular Weight: 943.17 g/mol
• Exact Mass: 942.37
• IUPAC Name: 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3-5)c2)cc1
• InChI: InChI=1S/C70H46N4/c1-7-23-47(24-8-1)53-41-54(48-25-9-2-10-26-48)44-57(43-53)70(69-72-67(51-31-15-5-16-32-51)71-68(73-69)52-33-17-6-18-34-52)63-37-21-19-35-59(63)61-39-40-62-60-36-20-22-38-64(60)74(66(62)65(61)70)58-45-55(49-27-11-3-12-28-49)42-56(46-58)50-29-13-4-14-30-50/h1-46H
• InChIKey: CXFYFYKEONMFAK-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.17
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?

The IUPAC name of 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole (CID 143873592) is 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole.

What is the SMILES notation for 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?

The canonical SMILES for 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c(c43)C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3-5)c2)cc1.

What is the InChIKey of 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?

The InChIKey is CXFYFYKEONMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-7-23-47(24-8-1)53-41-54(48-25-9-2-10-26-48)44-57(43-53)70(69-72-67(51-31-15-5-16-32-51)71-68(73-69)52-33-17-6-18-34-52)63-37-21-19-35-59(63)61-39-40-62-60-36-20-22-38-64(60)74(66(62)65(61)70)58-45-55(49-27-11-3-12-28-49)42-56(46-58)50-29-13-4-14-30-50/h1-46H.

What are the key properties of 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?

11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole has a molecular weight of 943.17 g/mol, XLogP of 17.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole is sourced from PubChem (CID 143873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).