2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine

C56H35N3O — CID 168855114

IUPAC2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccccc6)c6ccccc6c54)c3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-4-18-36(19-5-1)45-35-46-43-27-12-13-30-47(43)56(51(46)44-28-11-10-26-42(44)45)48-31-14-15-33-50(48)60-52-41(29-17-32-49(52)56)39-24-16-25-40(34-39)55-58-53(37-20-6-2-7-21-37)57-54(59-55)38-22-8-3-9-23-38/h1-35H
InChIKeyRCADYHITUKRTBH-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.83
Rot. Bonds5

About 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine (PubChem CID 168855114) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine
PubChem CID168855114
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccccc6)c6ccccc6c54)c3)n2)cc1
InChIInChI=1S/C56H35N3O/c1-4-18-36(19-5-1)45-35-46-43-27-12-13-30-47(43)56(51(46)44-28-11-10-26-42(44)45)48-31-14-15-33-50(48)60-52-41(29-17-32-49(52)56)39-24-16-25-40(34-39)55-58-53(37-20-6-2-7-21-37)57-54(59-55)38-22-8-3-9-23-38/h1-35H
InChIKeyRCADYHITUKRTBH-UHFFFAOYSA-N
XLogP13.83
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
CID 168854945
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
CID 146184431
CID 146184431
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694633
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2-[3-methyl-4-(2-methylphenyl)phenyl]-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379362
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 163435686
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine (CID 168855114) is 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccccc6)c6ccccc6c54)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine?
The InChIKey is RCADYHITUKRTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-4-18-36(19-5-1)45-35-46-43-27-12-13-30-47(43)56(51(46)44-28-11-10-26-42(44)45)48-31-14-15-33-50(48)60-52-41(29-17-32-49(52)56)39-24-16-25-40(34-39)55-58-53(37-20-6-2-7-21-37)57-54(59-55)38-22-8-3-9-23-38/h1-35H.
What are the key properties of 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine has a molecular weight of 765.92 g/mol, XLogP of 13.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168855114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).