2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine

C55H34N2O — CID 134529213

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5oc5ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C55H34N2O/c1-3-15-35(16-4-1)36-29-31-37(32-30-36)48-34-49(57-54(56-48)38-17-5-2-6-18-38)40-20-13-19-39(33-40)41-24-14-27-47-51(41)42-21-7-10-25-45(42)55(47)46-26-11-8-22-43(46)52-44-23-9-12-28-50(44)58-53(52)55/h1-34H
InChIKeyLSARONUVJGOJQR-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.90
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine

2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine (PubChem CID 134529213) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine
PubChem CID134529213
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5oc5ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C55H34N2O/c1-3-15-35(16-4-1)36-29-31-37(32-30-36)48-34-49(57-54(56-48)38-17-5-2-6-18-38)40-20-13-19-39(33-40)41-24-14-27-47-51(41)42-21-7-10-25-45(42)55(47)46-26-11-8-22-43(46)52-44-23-9-12-28-50(44)58-53(52)55/h1-34H
InChIKeyLSARONUVJGOJQR-UHFFFAOYSA-N
XLogP13.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 134529244
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 159409707
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine
CID 134529254
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylpyrimidine
CID 161342910
2,4-diphenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)pyrimidine
CID 129264561
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4,6-diphenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)-1,3,5-triazine
CID 158835331
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
CID 159671779
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine (CID 134529213) is 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c5oc5ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine?
The InChIKey is LSARONUVJGOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-3-15-35(16-4-1)36-29-31-37(32-30-36)48-34-49(57-54(56-48)38-17-5-2-6-18-38)40-20-13-19-39(33-40)41-24-14-27-47-51(41)42-21-7-10-25-45(42)55(47)46-26-11-8-22-43(46)52-44-23-9-12-28-50(44)58-53(52)55/h1-34H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine?
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine has a molecular weight of 738.89 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine is sourced from PubChem (CID 134529213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).