2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine

C40H25N3O — CID 88923619

IUPAC2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3Oc3ccccc3C4)n2)cc1
InChIInChI=1S/C40H25N3O/c1-2-11-25(12-3-1)38-41-39(43-40(42-38)34-19-10-14-27-23-26-13-4-9-20-36(26)44-37(27)34)28-21-22-33-31-17-6-5-15-29(31)30-16-7-8-18-32(30)35(33)24-28/h1-22,24H,23H2
InChIKeyVETAZHALSGVYOE-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.03
Rot. Bonds3

About 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine

2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine (PubChem CID 88923619) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine
PubChem CID88923619
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3Oc3ccccc3C4)n2)cc1
InChIInChI=1S/C40H25N3O/c1-2-11-25(12-3-1)38-41-39(43-40(42-38)34-19-10-14-27-23-26-13-4-9-20-36(26)44-37(27)34)28-21-22-33-31-17-6-5-15-29(31)30-16-7-8-18-32(30)35(33)24-28/h1-22,24H,23H2
InChIKeyVETAZHALSGVYOE-UHFFFAOYSA-N
XLogP10.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[2-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2,4,6,9(14),10,12,16,18,20,23,25-dodecaen-13-yl)phenyl]-2,6-diphenylpyrimidine
CID 146343140
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-[4-[10-(9H-fluoren-3-yl)triphenylen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155198239
2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 146495867
2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine
CID 170366009
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 118545354
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575338
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 167580187

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine (CID 88923619) is 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3Oc3ccccc3C4)n2)cc1.
What is the InChIKey of 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine?
The InChIKey is VETAZHALSGVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-2-11-25(12-3-1)38-41-39(43-40(42-38)34-19-10-14-27-23-26-13-4-9-20-36(26)44-37(27)34)28-21-22-33-31-17-6-5-15-29(31)30-16-7-8-18-32(30)35(33)24-28/h1-22,24H,23H2.
What are the key properties of 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine?
2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine has a molecular weight of 563.66 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine is sourced from PubChem (CID 88923619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).