2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C47H28N2O — CID 134399102

IUPAC2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c3n2)cc1
InChIInChI=1S/C47H28N2O/c1-3-13-29(14-4-1)43-45-44(49-46(48-43)30-15-5-2-6-16-30)37-27-31(24-26-42(37)50-45)32-23-25-36-35-19-9-12-22-40(35)47(41(36)28-32)38-20-10-7-17-33(38)34-18-8-11-21-39(34)47/h1-28H
InChIKeyXVYDUMLASPSFEB-UHFFFAOYSA-N
MW636.75 g/mol
LogP11.72
Rot. Bonds3

About 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine

2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 134399102) has the molecular formula C47H28N2O and a molecular weight of 636.75 g/mol. Its IUPAC name is 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID134399102
Molecular FormulaC47H28N2O
Molecular Weight636.75 g/mol
Exact Mass636.22
IUPAC Name2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c3n2)cc1
InChIInChI=1S/C47H28N2O/c1-3-13-29(14-4-1)43-45-44(49-46(48-43)30-15-5-2-6-16-30)37-27-31(24-26-42(37)50-45)32-23-25-36-35-19-9-12-22-40(35)47(41(36)28-32)38-20-10-7-17-33(38)34-18-8-11-21-39(34)47/h1-28H
InChIKeyXVYDUMLASPSFEB-UHFFFAOYSA-N
XLogP11.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
8-(5-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166726597
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 154600738
4-chloro-8-(9,9-dimethylfluoren-2-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134398969
2,4-diphenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170397386
2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163218425
4-phenyl-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397399
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167047627
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
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 134399102) is 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c3n2)cc1.
What is the InChIKey of 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is XVYDUMLASPSFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O/c1-3-13-29(14-4-1)43-45-44(49-46(48-43)30-15-5-2-6-16-30)37-27-31(24-26-42(37)50-45)32-23-25-36-35-19-9-12-22-40(35)47(41(36)28-32)38-20-10-7-17-33(38)34-18-8-11-21-39(34)47/h1-28H.
What are the key properties of 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 636.75 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 134399102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).