2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine

C50H33N3O — CID 154931854

IUPAC2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)N=C(c3ccc(-c4ccccc4)c4ccccc34)N2)cc1
InChIInChI=1S/C50H33N3O/c1-3-16-32(17-4-1)34-30-31-37(36-21-8-7-20-35(34)36)48-51-47(33-18-5-2-6-19-33)52-49(53-48)39-23-15-27-43-46(39)38-22-9-10-24-40(38)50(43)41-25-11-13-28-44(41)54-45-29-14-12-26-42(45)50/h1-31,49H,(H,51,52,53)
InChIKeyNSGFWDJZIJHEBL-UHFFFAOYSA-N
MW691.83 g/mol
LogP11.47
Rot. Bonds4

About 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine

2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 154931854) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
PubChem CID154931854
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)N=C(c3ccc(-c4ccccc4)c4ccccc34)N2)cc1
InChIInChI=1S/C50H33N3O/c1-3-16-32(17-4-1)34-30-31-37(36-21-8-7-20-35(34)36)48-51-47(33-18-5-2-6-19-33)52-49(53-48)39-23-15-27-43-46(39)38-22-9-10-24-40(38)50(43)41-25-11-13-28-44(41)54-45-29-14-12-26-42(45)50/h1-31,49H,(H,51,52,53)
InChIKeyNSGFWDJZIJHEBL-UHFFFAOYSA-N
XLogP11.47
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931855
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-3-ium
CID 163901285
4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]aniline
CID 163850407
2-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 139476231
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476782
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine (CID 154931854) is 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)N=C(c3ccc(-c4ccccc4)c4ccccc34)N2)cc1.
What is the InChIKey of 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is NSGFWDJZIJHEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-3-16-32(17-4-1)34-30-31-37(36-21-8-7-20-35(34)36)48-51-47(33-18-5-2-6-19-33)52-49(53-48)39-23-15-27-43-46(39)38-22-9-10-24-40(38)50(43)41-25-11-13-28-44(41)54-45-29-14-12-26-42(45)50/h1-31,49H,(H,51,52,53).
What are the key properties of 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine?
2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 691.83 g/mol, XLogP of 11.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 154931854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).