2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine

C47H31N3O — CID 130379805

IUPAC2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine
SMILESC1=Cc2cc(-c3nc(C4=CCCC5=C4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc3cccc(c23)C1
InChIInChI=1S/C47H31N3O/c1-2-13-30(14-3-1)44-48-45(33-27-31-17-10-15-29-16-11-18-32(28-33)42(29)31)50-46(49-44)36-21-12-25-40-43(36)51-41-26-9-8-24-39(41)47(40)37-22-6-4-19-34(37)35-20-5-7-23-38(35)47/h1-11,13-15,17-24,26-28H,12,16,25H2
InChIKeyDNYQAHREOPERBZ-UHFFFAOYSA-N
MW653.79 g/mol
LogP10.77
Rot. Bonds3

About 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine

2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine (PubChem CID 130379805) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine
PubChem CID130379805
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine
SMILESC1=Cc2cc(-c3nc(C4=CCCC5=C4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc3cccc(c23)C1
InChIInChI=1S/C47H31N3O/c1-2-13-30(14-3-1)44-48-45(33-27-31-17-10-15-29-16-11-18-32(28-33)42(29)31)50-46(49-44)36-21-12-25-40-43(36)51-41-26-9-8-24-39(41)47(40)37-22-6-4-19-34(37)35-20-5-7-23-38(35)47/h1-11,13-15,17-24,26-28H,12,16,25H2
InChIKeyDNYQAHREOPERBZ-UHFFFAOYSA-N
XLogP10.77
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146342991
4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 140947344
2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 166710589
4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[10H-anthracene-9,9'-fluorene]-2-ylphenyl)pyrimidine
CID 155443285
2-(9,9-dimethylthioxanthen-3-yl)-4-(6H-phenalen-2-yl)-6-phenyl-1,3,5-triazine
CID 163714650
2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155305061
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine;4-phenanthren-2-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 160597511
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 161321502
2,4-bis(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-(6H-phenalen-2-yl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 158620512
7'-[4-(6H-phenalen-2-yl)-6-phenylpyrimidin-2-yl]spiro[cyclopentane-1,9'-xanthene]-4'-carbonitrile
CID 163473459
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline
CID 164793109

Frequently Asked Questions

What is the IUPAC name of 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine?
The IUPAC name of 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine (CID 130379805) is 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine?
The canonical SMILES for 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine is C1=Cc2cc(-c3nc(C4=CCCC5=C4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc3cccc(c23)C1.
What is the InChIKey of 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine?
The InChIKey is DNYQAHREOPERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-2-13-30(14-3-1)44-48-45(33-27-31-17-10-15-29-16-11-18-32(28-33)42(29)31)50-46(49-44)36-21-12-25-40-43(36)51-41-26-9-8-24-39(41)47(40)37-22-6-4-19-34(37)35-20-5-7-23-38(35)47/h1-11,13-15,17-24,26-28H,12,16,25H2.
What are the key properties of 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine?
2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 10.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 130379805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).