2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine

C51H30N2O — CID 154619089

IUPAC2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2c1oc1ccccc21
InChIInChI=1S/C51H30N2O/c1-3-17-34-31(13-1)15-11-22-38(34)46-30-45(52-50(53-46)39-23-12-16-32-14-2-4-18-35(32)39)33-27-28-44-41(29-33)48-40-21-7-10-26-47(40)54-49(48)51(44)42-24-8-5-19-36(42)37-20-6-9-25-43(37)51/h1-30H
InChIKeyCPVDZNCYQGTVMH-UHFFFAOYSA-N
MW686.81 g/mol
LogP12.87
Rot. Bonds3

About 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine

2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine (PubChem CID 154619089) has the molecular formula C51H30N2O and a molecular weight of 686.81 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
PubChem CID154619089
Molecular FormulaC51H30N2O
Molecular Weight686.81 g/mol
Exact Mass686.24
IUPAC Name2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2c1oc1ccccc21
InChIInChI=1S/C51H30N2O/c1-3-17-34-31(13-1)15-11-22-38(34)46-30-45(52-50(53-46)39-23-12-16-32-14-2-4-18-35(32)39)33-27-28-44-41(29-33)48-40-21-7-10-26-47(40)54-49(48)51(44)42-24-8-5-19-36(42)37-20-6-9-25-43(37)51/h1-30H
InChIKeyCPVDZNCYQGTVMH-UHFFFAOYSA-N
XLogP12.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine;2,4-dinaphthalen-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl-1,3,5-triazine;2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 159159441
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 134529294
2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 134529276
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine
CID 134529254
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
2,4-diphenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)pyrimidine
CID 129264561
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
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]-4-ylphenyl)pyrimidine
CID 134529213
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380
2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
CID 134529300

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine?
The IUPAC name of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine (CID 154619089) is 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine?
The canonical SMILES for 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine is c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2-c2c1oc1ccccc21.
What is the InChIKey of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine?
The InChIKey is CPVDZNCYQGTVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O/c1-3-17-34-31(13-1)15-11-22-38(34)46-30-45(52-50(53-46)39-23-12-16-32-14-2-4-18-35(32)39)33-27-28-44-41(29-33)48-40-21-7-10-26-47(40)54-49(48)51(44)42-24-8-5-19-36(42)37-20-6-9-25-43(37)51/h1-30H.
What are the key properties of 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine?
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine has a molecular weight of 686.81 g/mol, XLogP of 12.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine is sourced from PubChem (CID 154619089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).