2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine

C166H115N5O — CID 159401101

IUPAC2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c(cc3-c3nc(-c5ccccc5)cc(-c5ccccc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3nc(-c5ccccc5)cc(-c5ccccc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)oc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/2C56H40N2.C54H35NO/c1-55(2)48-29-17-15-27-42(48)45-33-39(31-32-49(45)55)44-34-46-43-28-16-18-30-50(43)56(40-23-11-5-12-24-40,41-25-13-6-14-26-41)51(46)35-47(44)54-57-52(37-19-7-3-8-20-37)36-53(58-54)38-21-9-4-10-22-38;1-55(2)48-29-17-15-27-42(48)44-32-31-39(33-50(44)55)45-34-46-43-28-16-18-30-49(43)56(40-23-11-5-12-24-40,41-25-13-6-14-26-41)51(46)35-47(45)54-57-52(37-19-7-3-8-20-37)36-53(58-54)38-21-9-4-10-22-38;1-5-17-36(18-6-1)39-31-50(37-19-7-2-8-20-37)55-51(32-39)47-34-46-42-25-13-15-27-48(42)54(40-21-9-3-10-22-40,41-23-11-4-12-24-41)49(46)35-45(47)38-29-30-44-43-26-14-16-28-52(43)56-53(44)33-38/h2*3-36H,1-2H3;1-35H
InChIKeyLNIQRGAKCWYBTH-UHFFFAOYSA-N
MW2195.78 g/mol
LogP41.64
Rot. Bonds18

About 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine

2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine (PubChem CID 159401101) has the molecular formula C166H115N5O and a molecular weight of 2195.78 g/mol. Its IUPAC name is 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine
PubChem CID159401101
Molecular FormulaC166H115N5O
Molecular Weight2195.78 g/mol
Exact Mass2193.91
IUPAC Name2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c(cc3-c3nc(-c5ccccc5)cc(-c5ccccc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3nc(-c5ccccc5)cc(-c5ccccc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)oc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/2C56H40N2.C54H35NO/c1-55(2)48-29-17-15-27-42(48)45-33-39(31-32-49(45)55)44-34-46-43-28-16-18-30-50(43)56(40-23-11-5-12-24-40,41-25-13-6-14-26-41)51(46)35-47(44)54-57-52(37-19-7-3-8-20-37)36-53(58-54)38-21-9-4-10-22-38;1-55(2)48-29-17-15-27-42(48)44-32-31-39(33-50(44)55)45-34-46-43-28-16-18-30-49(43)56(40-23-11-5-12-24-40,41-25-13-6-14-26-41)51(46)35-47(45)54-57-52(37-19-7-3-8-20-37)36-53(58-54)38-21-9-4-10-22-38;1-5-17-36(18-6-1)39-31-50(37-19-7-2-8-20-37)55-51(32-39)47-34-46-42-25-13-15-27-48(42)54(40-21-9-3-10-22-40,41-23-11-4-12-24-41)49(46)35-45(47)38-29-30-44-43-26-14-16-28-52(43)56-53(44)33-38/h2*3-36H,1-2H3;1-35H
InChIKeyLNIQRGAKCWYBTH-UHFFFAOYSA-N
XLogP41.64
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002195.78
LogP ≤ 541.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
CID 146367821
4-(4-dibenzofuran-3-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171603366
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
4-[3-(5-dibenzofuran-3-yltriphenylen-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 159973968
2-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[2-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenylpyridine;2-[2-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenylpyridine
CID 159436810
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 146367846
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
2-(5-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158138584
4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160704637
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176834778
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
CID 154602507

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine (CID 159401101) is 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3cc4c(cc3-c3nc(-c5ccccc5)cc(-c5ccccc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3nc(-c5ccccc5)cc(-c5ccccc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)oc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine?
The InChIKey is LNIQRGAKCWYBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H40N2.C54H35NO/c1-55(2)48-29-17-15-27-42(48)45-33-39(31-32-49(45)55)44-34-46-43-28-16-18-30-50(43)56(40-23-11-5-12-24-40,41-25-13-6-14-26-41)51(46)35-47(44)54-57-52(37-19-7-3-8-20-37)36-53(58-54)38-21-9-4-10-22-38;1-55(2)48-29-17-15-27-42(48)44-32-31-39(33-50(44)55)45-34-46-43-28-16-18-30-49(43)56(40-23-11-5-12-24-40,41-25-13-6-14-26-41)51(46)35-47(45)54-57-52(37-19-7-3-8-20-37)36-53(58-54)38-21-9-4-10-22-38;1-5-17-36(18-6-1)39-31-50(37-19-7-2-8-20-37)55-51(32-39)47-34-46-42-25-13-15-27-48(42)54(40-21-9-3-10-22-40,41-23-11-4-12-24-41)49(46)35-45(47)38-29-30-44-43-26-14-16-28-52(43)56-53(44)33-38/h2*3-36H,1-2H3;1-35H.
What are the key properties of 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine?
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine has a molecular weight of 2195.78 g/mol, XLogP of 41.64, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[3-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine;2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 159401101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).