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

C49H30N4O — CID 166737937

IUPAC2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccn3)nc(-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-2-15-32(16-3-1)46-51-47(42-23-12-13-29-50-42)53-48(52-46)45-34-17-5-4-14-31(34)25-27-35(45)33-26-28-44-41(30-33)49(40-22-10-11-24-43(40)54-44)38-20-8-6-18-36(38)37-19-7-9-21-39(37)49/h1-30H
InChIKeyBFOUCYXLBFDLJK-UHFFFAOYSA-N
MW690.81 g/mol
LogP11.56
Rot. Bonds4

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

2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 166737937) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID166737937
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccn3)nc(-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-2-15-32(16-3-1)46-51-47(42-23-12-13-29-50-42)53-48(52-46)45-34-17-5-4-14-31(34)25-27-35(45)33-26-28-44-41(30-33)49(40-22-10-11-24-43(40)54-44)38-20-8-6-18-36(38)37-19-7-9-21-39(37)49/h1-30H
InChIKeyBFOUCYXLBFDLJK-UHFFFAOYSA-N
XLogP11.56
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 130379641
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
CID 137388304
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379318
2-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379927
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155304052
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 146494816
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
2,4-bis(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 160998252
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine (CID 166737937) is 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccn3)nc(-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is BFOUCYXLBFDLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-2-15-32(16-3-1)46-51-47(42-23-12-13-29-50-42)53-48(52-46)45-34-17-5-4-14-31(34)25-27-35(45)33-26-28-44-41(30-33)49(40-22-10-11-24-43(40)54-44)38-20-8-6-18-36(38)37-19-7-9-21-39(37)49/h1-30H.
What are the key properties of 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine?
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 690.81 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 166737937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).