9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole

C64H34F4N6 — CID 88886987

About 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole

9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole (PubChem CID 88886987) has the molecular formula C64H34F4N6 and a molecular weight of 963.01 g/mol. Its IUPAC name is 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole.

Molecular Properties

• Compound Name: 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
• PubChem CID: 88886987
• Molecular Formula: C64H34F4N6
• Molecular Weight: 963.01 g/mol
• Exact Mass: 962.28
• IUPAC Name: 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
• SMILES: Fc1ccc2c(c1)c1cc(F)ccc1n2-c1nc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)nc(-n2c3ccc(F)cc3c3cc(F)ccc32)n1
• InChI: InChI=1S/C64H34F4N6/c65-36-18-25-57-47(30-36)48-31-37(66)19-26-58(48)73(57)62-69-61(70-63(71-62)74-59-27-20-38(67)32-49(59)50-33-39(68)21-28-60(50)74)35-17-23-43-41-9-1-5-13-51(41)64(53(43)29-35)52-14-6-2-10-42(52)44-24-22-40(34-54(44)64)72-55-15-7-3-11-45(55)46-12-4-8-16-56(46)72/h1-34H
• InChIKey: RLBYDWXRZRLOFQ-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.01
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?

The IUPAC name of 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole (CID 88886987) is 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole.

What is the SMILES notation for 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?

The canonical SMILES for 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1nc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)nc(-n2c3ccc(F)cc3c3cc(F)ccc32)n1.

What is the InChIKey of 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?

The InChIKey is RLBYDWXRZRLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34F4N6/c65-36-18-25-57-47(30-36)48-31-37(66)19-26-58(48)73(57)62-69-61(70-63(71-62)74-59-27-20-38(67)32-49(59)50-33-39(68)21-28-60(50)74)35-17-23-43-41-9-1-5-13-51(41)64(53(43)29-35)52-14-6-2-10-42(52)44-24-22-40(34-54(44)64)72-55-15-7-3-11-45(55)46-12-4-8-16-56(46)72/h1-34H.

What are the key properties of 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?

9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole has a molecular weight of 963.01 g/mol, XLogP of 15.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(3,6-difluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 88886987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).