2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine

C52H35N3O — CID 146321854

IUPAC2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CCC2Oc3ccc(-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3C3(C2=C1)c1ccccc1-c1ccccc13
InChIInChI=1S/C52H35N3O/c1-3-16-34(17-4-1)49-53-50(35-18-5-2-6-19-35)55-51(54-49)38-21-15-20-36(32-38)39-22-7-8-23-40(39)37-30-31-48-46(33-37)52(45-28-13-14-29-47(45)56-48)43-26-11-9-24-41(43)42-25-10-12-27-44(42)52/h1-28,30-33,47H,29H2
InChIKeyVNZNQTDMVOFDLN-UHFFFAOYSA-N
MW717.87 g/mol
LogP12.17
Rot. Bonds5

About 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 146321854) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID146321854
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CCC2Oc3ccc(-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3C3(C2=C1)c1ccccc1-c1ccccc13
InChIInChI=1S/C52H35N3O/c1-3-16-34(17-4-1)49-53-50(35-18-5-2-6-19-35)55-51(54-49)38-21-15-20-36(32-38)39-22-7-8-23-40(39)37-30-31-48-46(33-37)52(45-28-13-14-29-47(45)56-48)43-26-11-9-24-41(43)42-25-10-12-27-44(42)52/h1-28,30-33,47H,29H2
InChIKeyVNZNQTDMVOFDLN-UHFFFAOYSA-N
XLogP12.17
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine
CID 147483176
4-(4-phenylcyclohexa-1,3-dien-1-yl)-2-(3-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)quinazoline
CID 155443297
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
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-cyclohexa-2,4-dien-1-yl-4-[4-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 174255529
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine (CID 146321854) is 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine is C1=CCC2Oc3ccc(-c4ccccc4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3C3(C2=C1)c1ccccc1-c1ccccc13.
What is the InChIKey of 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is VNZNQTDMVOFDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-3-16-34(17-4-1)49-53-50(35-18-5-2-6-19-35)55-51(54-49)38-21-15-20-36(32-38)39-22-7-8-23-40(39)37-30-31-48-46(33-37)52(45-28-13-14-29-47(45)56-48)43-26-11-9-24-41(43)42-25-10-12-27-44(42)52/h1-28,30-33,47H,29H2.
What are the key properties of 2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 717.87 g/mol, XLogP of 12.17, 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-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146321854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).