2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine

C44H27N3O — CID 163941114

IUPAC2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-13-28(14-4-1)41-45-42(29-15-5-2-6-16-29)47-43(46-41)31-24-23-30-27-40-38(26-32(30)25-31)44(37-21-11-12-22-39(37)48-40)35-19-9-7-17-33(35)34-18-8-10-20-36(34)44/h1-27H
InChIKeyRRALCTFVRSXYJW-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.49
Rot. Bonds3

About 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine

2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine (PubChem CID 163941114) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
PubChem CID163941114
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-13-28(14-4-1)41-45-42(29-15-5-2-6-16-29)47-43(46-41)31-24-23-30-27-40-38(26-32(30)25-31)44(37-21-11-12-22-39(37)48-40)35-19-9-7-17-33(35)34-18-8-10-20-36(34)44/h1-27H
InChIKeyRRALCTFVRSXYJW-UHFFFAOYSA-N
XLogP10.49
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-spiro[benzo[b]fluorene-11,9'-xanthene]-8-yl-1,3,5-triazine
CID 163915981
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619
2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 137391672
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
CID 168854945
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine (CID 163941114) is 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine?
The InChIKey is RRALCTFVRSXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-3-13-28(14-4-1)41-45-42(29-15-5-2-6-16-29)47-43(46-41)31-24-23-30-27-40-38(26-32(30)25-31)44(37-21-11-12-22-39(37)48-40)35-19-9-7-17-33(35)34-18-8-10-20-36(34)44/h1-27H.
What are the key properties of 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine?
2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine has a molecular weight of 613.72 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine is sourced from PubChem (CID 163941114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).