12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C70H43N5 — CID 88886982

About 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole

12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 88886982) has the molecular formula C70H43N5 and a molecular weight of 954.15 g/mol. Its IUPAC name is 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 88886982
• Molecular Formula: C70H43N5
• Molecular Weight: 954.15 g/mol
• Exact Mass: 953.35
• IUPAC Name: 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7c(c6)C6(c8ccccc8-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc86)c6ccccc6-7)c5c43)cc2)cc1
• InChI: InChI=1S/C70H43N5/c1-4-18-44(19-5-1)45-32-35-49(36-33-45)74-63-30-16-12-26-55(63)57-40-41-58-56-27-13-17-31-64(56)75(66(58)65(57)74)50-37-39-54-52-25-11-15-29-60(52)70(62(54)43-50)59-28-14-10-24-51(59)53-38-34-48(42-61(53)70)69-72-67(46-20-6-2-7-21-46)71-68(73-69)47-22-8-3-9-23-47/h1-43H
• InChIKey: DKYVKEISDIFKKP-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.15
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

The IUPAC name of 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 88886982) is 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

The canonical SMILES for 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7c(c6)C6(c8ccccc8-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc86)c6ccccc6-7)c5c43)cc2)cc1.

What is the InChIKey of 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

The InChIKey is DKYVKEISDIFKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5/c1-4-18-44(19-5-1)45-32-35-49(36-33-45)74-63-30-16-12-26-55(63)57-40-41-58-56-27-13-17-31-64(56)75(66(58)65(57)74)50-37-39-54-52-25-11-15-29-60(52)70(62(54)43-50)59-28-14-10-24-51(59)53-38-34-48(42-61(53)70)69-72-67(46-20-6-2-7-21-46)71-68(73-69)47-22-8-3-9-23-47/h1-43H.

What are the key properties of 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?

12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 954.15 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 88886982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).