2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C62H37N5O2 — CID 146920212

IUPAC2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5ccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)cc5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C62H37N5O2/c1-4-18-39(19-5-1)55-57-56(44-24-10-13-31-50(44)69-57)64-58(63-55)42-36-34-38(35-37-42)43-25-16-29-48-53(43)54-45(61-66-59(40-20-6-2-7-21-40)65-60(67-61)41-22-8-3-9-23-41)26-17-30-49(54)62(48)46-27-11-14-32-51(46)68-52-33-15-12-28-47(52)62/h1-37H
InChIKeyADAMSPMEOZHUQJ-UHFFFAOYSA-N
MW884.01 g/mol
LogP15.03
Rot. Bonds6

About 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 146920212) has the molecular formula C62H37N5O2 and a molecular weight of 884.01 g/mol. Its IUPAC name is 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID146920212
Molecular FormulaC62H37N5O2
Molecular Weight884.01 g/mol
Exact Mass883.29
IUPAC Name2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5ccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)cc5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C62H37N5O2/c1-4-18-39(19-5-1)55-57-56(44-24-10-13-31-50(44)69-57)64-58(63-55)42-36-34-38(35-37-42)43-25-16-29-48-53(43)54-45(61-66-59(40-20-6-2-7-21-40)65-60(67-61)41-22-8-3-9-23-41)26-17-30-49(54)62(48)46-27-11-14-32-51(46)68-52-33-15-12-28-47(52)62/h1-37H
InChIKeyADAMSPMEOZHUQJ-UHFFFAOYSA-N
XLogP15.03
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.01
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928881
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162059090
2-phenyl-4-(6-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928812
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine;2-[8-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 158374323
2-phenyl-4-(8-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170928761
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4-phenylquinazoline
CID 162147407
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 146920212) is 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5ccc(-c6nc(-c7ccccc7)c7oc8ccccc8c7n6)cc5)cccc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ADAMSPMEOZHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N5O2/c1-4-18-39(19-5-1)55-57-56(44-24-10-13-31-50(44)69-57)64-58(63-55)42-36-34-38(35-37-42)43-25-16-29-48-53(43)54-45(61-66-59(40-20-6-2-7-21-40)65-60(67-61)41-22-8-3-9-23-41)26-17-30-49(54)62(48)46-27-11-14-32-51(46)68-52-33-15-12-28-47(52)62/h1-37H.
What are the key properties of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 884.01 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 146920212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).