2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C68H49FN6 — CID 164819090

IUPAC2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc3c(c2)C2(c4cc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)ccc4-3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C68H49FN6/c69-51-29-32-58(67-74-64(45-19-9-3-10-20-45)71-65(75-67)46-21-11-4-12-22-46)59(40-51)48-28-31-56-55-30-27-47(38-60(55)68(61(56)39-48)49-34-41-33-42(36-49)37-50(68)35-41)52-23-13-25-54-53(52)24-14-26-57(54)66-72-62(43-15-5-1-6-16-43)70-63(73-66)44-17-7-2-8-18-44/h1-32,38-42,49-50H,33-37H2
InChIKeyKAOCRCAYAIURNZ-UHFFFAOYSA-N
MW969.18 g/mol
LogP16.41
Rot. Bonds8

About 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164819090) has the molecular formula C68H49FN6 and a molecular weight of 969.18 g/mol. Its IUPAC name is 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164819090
Molecular FormulaC68H49FN6
Molecular Weight969.18 g/mol
Exact Mass968.40
IUPAC Name2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc3c(c2)C2(c4cc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)ccc4-3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C68H49FN6/c69-51-29-32-58(67-74-64(45-19-9-3-10-20-45)71-65(75-67)46-21-11-4-12-22-46)59(40-51)48-28-31-56-55-30-27-47(38-60(55)68(61(56)39-48)49-34-41-33-42(36-49)37-50(68)35-41)52-23-13-25-54-53(52)24-14-26-57(54)66-72-62(43-15-5-1-6-16-43)70-63(73-66)44-17-7-2-8-18-44/h1-32,38-42,49-50H,33-37H2
InChIKeyKAOCRCAYAIURNZ-UHFFFAOYSA-N
XLogP16.41
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.18
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 164819090) is 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc3c(c2)C2(c4cc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)ccc4-3)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KAOCRCAYAIURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49FN6/c69-51-29-32-58(67-74-64(45-19-9-3-10-20-45)71-65(75-67)46-21-11-4-12-22-46)59(40-51)48-28-31-56-55-30-27-47(38-60(55)68(61(56)39-48)49-34-41-33-42(36-49)37-50(68)35-41)52-23-13-25-54-53(52)24-14-26-57(54)66-72-62(43-15-5-1-6-16-43)70-63(73-66)44-17-7-2-8-18-44/h1-32,38-42,49-50H,33-37H2.
What are the key properties of 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 969.18 g/mol, XLogP of 16.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-fluorophenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164819090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).