2-[8-[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 164818951

IUPAC2-[8-[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(-c5cccc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c56)ccc4-3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C68H49FN6/c69-52-29-32-56(66-72-62(44-15-5-1-6-16-44)70-63(73-66)45-17-7-2-8-18-45)58(40-52)49-28-31-55-54-30-27-48(38-59(54)68(60(55)39-49)50-34-41-33-42(36-50)37-51(68)35-41)53-25-13-23-43-24-14-26-57(61(43)53)67-74-64(46-19-9-3-10-20-46)71-65(75-67)47-21-11-4-12-22-47/h1-32,38-42,50-51H,33-37H2
InChIKeyHZPMWCSWVHBREV-UHFFFAOYSA-N
MW969.18 g/mol
LogP16.41
Rot. Bonds8

About 2-[8-[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-[8-[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 164818951) has the molecular formula C68H49FN6 and a molecular weight of 969.18 g/mol. Its IUPAC name is 2-[8-[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-[8-[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 CID164818951
Molecular FormulaC68H49FN6
Molecular Weight969.18 g/mol
Exact Mass968.40
IUPAC Name2-[8-[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(-c5cccc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c56)ccc4-3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C68H49FN6/c69-52-29-32-56(66-72-62(44-15-5-1-6-16-44)70-63(73-66)45-17-7-2-8-18-45)58(40-52)49-28-31-55-54-30-27-48(38-59(54)68(60(55)39-49)50-34-41-33-42(36-50)37-51(68)35-41)53-25-13-23-43-24-14-26-57(61(43)53)67-74-64(46-19-9-3-10-20-46)71-65(75-67)47-21-11-4-12-22-47/h1-32,38-42,50-51H,33-37H2
InChIKeyHZPMWCSWVHBREV-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-[8-[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-[8-[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-[8-[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 164818951) is 2-[8-[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-[8-[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-[8-[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(-c5cccc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c56)ccc4-3)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 2-[8-[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 HZPMWCSWVHBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49FN6/c69-52-29-32-56(66-72-62(44-15-5-1-6-16-44)70-63(73-66)45-17-7-2-8-18-45)58(40-52)49-28-31-55-54-30-27-48(38-59(54)68(60(55)39-49)50-34-41-33-42(36-50)37-51(68)35-41)53-25-13-23-43-24-14-26-57(61(43)53)67-74-64(46-19-9-3-10-20-46)71-65(75-67)47-21-11-4-12-22-47/h1-32,38-42,50-51H,33-37H2.
What are the key properties of 2-[8-[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-[8-[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-[8-[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 164818951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).