2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine

C58H33N3O2 — CID 146649073

IUPAC2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)cccc21
InChIInChI=1S/C58H33N3O2/c1-6-18-46-39(12-1)40-13-2-7-19-47(40)58(46)48-20-8-3-16-45(48)54-38(17-11-21-49(54)58)34-24-26-35(27-25-34)55-59-56(36-28-30-43-41-14-4-9-22-50(41)62-52(43)32-36)61-57(60-55)37-29-31-44-42-15-5-10-23-51(42)63-53(44)33-37/h1-33H
InChIKeyKSFJRNATRQRWOX-UHFFFAOYSA-N
MW803.92 g/mol
LogP14.68
Rot. Bonds4

About 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine

2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine (PubChem CID 146649073) has the molecular formula C58H33N3O2 and a molecular weight of 803.92 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
PubChem CID146649073
Molecular FormulaC58H33N3O2
Molecular Weight803.92 g/mol
Exact Mass803.26
IUPAC Name2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)cccc21
InChIInChI=1S/C58H33N3O2/c1-6-18-46-39(12-1)40-13-2-7-19-47(40)58(46)48-20-8-3-16-45(48)54-38(17-11-21-49(54)58)34-24-26-35(27-25-34)55-59-56(36-28-30-43-41-14-4-9-22-50(41)62-52(43)32-36)61-57(60-55)37-29-31-44-42-15-5-10-23-51(42)63-53(44)33-37/h1-33H
InChIKeyKSFJRNATRQRWOX-UHFFFAOYSA-N
XLogP14.68
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.92
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazine
CID 159097796
2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146649021
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159850266
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine;methane
CID 160570361
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-(2-dibenzofuran-2-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-(2-dibenzofuran-2-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-(2-dibenzofuran-3-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-(2-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-(2-dibenzofuran-4-ylphenyl)-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 162115951

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine (CID 146649073) is 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)cccc21.
What is the InChIKey of 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The InChIKey is KSFJRNATRQRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N3O2/c1-6-18-46-39(12-1)40-13-2-7-19-47(40)58(46)48-20-8-3-16-45(48)54-38(17-11-21-49(54)58)34-24-26-35(27-25-34)55-59-56(36-28-30-43-41-14-4-9-22-50(41)62-52(43)32-36)61-57(60-55)37-29-31-44-42-15-5-10-23-51(42)63-53(44)33-37/h1-33H.
What are the key properties of 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine has a molecular weight of 803.92 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146649073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).