2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C47H33N3O — CID 166995683

IUPAC2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3c(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cccc32)c2ccccc21
InChIInChI=1S/C47H33N3O/c1-46(2)35-20-8-10-22-37(35)47(38-23-11-9-21-36(38)46)39-24-12-13-26-41(39)51-42-34(19-14-25-40(42)47)45-49-43(31-16-4-3-5-17-31)48-44(50-45)33-28-27-30-15-6-7-18-32(30)29-33/h3-29H,1-2H3
InChIKeyWUBQLIYDKGKIBN-UHFFFAOYSA-N
MW655.80 g/mol
LogP11.15
Rot. Bonds3

About 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 166995683) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID166995683
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC Name2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Oc3c(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cccc32)c2ccccc21
InChIInChI=1S/C47H33N3O/c1-46(2)35-20-8-10-22-37(35)47(38-23-11-9-21-36(38)46)39-24-12-13-26-41(39)51-42-34(19-14-25-40(42)47)45-49-43(31-16-4-3-5-17-31)48-44(50-45)33-28-27-30-15-6-7-18-32(30)29-33/h3-29H,1-2H3
InChIKeyWUBQLIYDKGKIBN-UHFFFAOYSA-N
XLogP11.15
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 146495867
4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 166995669
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
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947149
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598
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-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146388535
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 138574103
CID 146184431
CID 146184431
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 166995683) is 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3Oc3c(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cccc32)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is WUBQLIYDKGKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O/c1-46(2)35-20-8-10-22-37(35)47(38-23-11-9-21-36(38)46)39-24-12-13-26-41(39)51-42-34(19-14-25-40(42)47)45-49-43(31-16-4-3-5-17-31)48-44(50-45)33-28-27-30-15-6-7-18-32(30)29-33/h3-29H,1-2H3.
What are the key properties of 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 655.80 g/mol, XLogP of 11.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166995683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).