2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C56H33N3OS — CID 159639452

IUPAC2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3-c3ccc(-c5ccc6sc7ccccc7c6c5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H33N3OS/c1-2-14-35(15-3-1)53-57-54(39-26-25-34-13-4-5-16-36(34)31-39)59-55(58-53)42-18-12-21-46-52(42)41-29-27-38(37-28-30-51-43(32-37)40-17-6-11-24-50(40)61-51)33-47(41)56(46)44-19-7-9-22-48(44)60-49-23-10-8-20-45(49)56/h1-33H
InChIKeyCDGZVUPQDSPALW-UHFFFAOYSA-N
MW795.97 g/mol
LogP14.53
Rot. Bonds4

About 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 159639452) has the molecular formula C56H33N3OS and a molecular weight of 795.97 g/mol. Its IUPAC name is 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID159639452
Molecular FormulaC56H33N3OS
Molecular Weight795.97 g/mol
Exact Mass795.23
IUPAC Name2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3-c3ccc(-c5ccc6sc7ccccc7c6c5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H33N3OS/c1-2-14-35(15-3-1)53-57-54(39-26-25-34-13-4-5-16-36(34)31-39)59-55(58-53)42-18-12-21-46-52(42)41-29-27-38(37-28-30-51-43(32-37)40-17-6-11-24-50(40)61-51)33-47(41)56(46)44-19-7-9-22-48(44)60-49-23-10-8-20-45(49)56/h1-33H
InChIKeyCDGZVUPQDSPALW-UHFFFAOYSA-N
XLogP14.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.97
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-9-yl-1,3,5-triazine
CID 167340545
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
2,4-diphenyl-6-[3-(3-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 148983450
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 158505780
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 160916679
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 166024897
2-dibenzothiophen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 164955219

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 159639452) is 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3-c3ccc(-c5ccc6sc7ccccc7c6c5)cc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is CDGZVUPQDSPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3OS/c1-2-14-35(15-3-1)53-57-54(39-26-25-34-13-4-5-16-36(34)31-39)59-55(58-53)42-18-12-21-46-52(42)41-29-27-38(37-28-30-51-43(32-37)40-17-6-11-24-50(40)61-51)33-47(41)56(46)44-19-7-9-22-48(44)60-49-23-10-8-20-45(49)56/h1-33H.
What are the key properties of 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 795.97 g/mol, XLogP of 14.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzothiophen-2-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 159639452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).