2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C70H41N3O3 — CID 166002837

IUPAC2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc(-c5ccc6oc7cccc(-c8nc(-c9cccc%10oc%11ccccc%11c9%10)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)c4)cccc32)cc1
InChIInChI=1S/C70H41N3O3/c1-3-20-45(21-4-1)70(46-22-5-2-6-23-46)55-31-10-7-24-48(55)63-47(27-14-32-56(63)70)44-19-13-18-42(40-44)43-38-39-59-54(41-43)66-53(30-17-37-62(66)76-59)69-72-67(51-28-15-35-60-64(51)49-25-8-11-33-57(49)74-60)71-68(73-69)52-29-16-36-61-65(52)50-26-9-12-34-58(50)75-61/h1-41H
InChIKeyMKSXMWFVPKTHHP-UHFFFAOYSA-N
MW972.12 g/mol
LogP18.27
Rot. Bonds7

About 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166002837) has the molecular formula C70H41N3O3 and a molecular weight of 972.12 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166002837
Molecular FormulaC70H41N3O3
Molecular Weight972.12 g/mol
Exact Mass971.31
IUPAC Name2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc(-c5ccc6oc7cccc(-c8nc(-c9cccc%10oc%11ccccc%11c9%10)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)c4)cccc32)cc1
InChIInChI=1S/C70H41N3O3/c1-3-20-45(21-4-1)70(46-22-5-2-6-23-46)55-31-10-7-24-48(55)63-47(27-14-32-56(63)70)44-19-13-18-42(40-44)43-38-39-59-54(41-43)66-53(30-17-37-62(66)76-59)69-72-67(51-28-15-35-60-64(51)49-25-8-11-33-57(49)74-60)71-68(73-69)52-29-16-36-61-65(52)50-26-9-12-34-58(50)75-61/h1-41H
InChIKeyMKSXMWFVPKTHHP-UHFFFAOYSA-N
XLogP18.27
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.12
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369287
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661
2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369192
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369515
2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166003111
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-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166002837) is 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc(-c5ccc6oc7cccc(-c8nc(-c9cccc%10oc%11ccccc%11c9%10)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)c4)cccc32)cc1.
What is the InChIKey of 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is MKSXMWFVPKTHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3O3/c1-3-20-45(21-4-1)70(46-22-5-2-6-23-46)55-31-10-7-24-48(55)63-47(27-14-32-56(63)70)44-19-13-18-42(40-44)43-38-39-59-54(41-43)66-53(30-17-37-62(66)76-59)69-72-67(51-28-15-35-60-64(51)49-25-8-11-33-57(49)74-60)71-68(73-69)52-29-16-36-61-65(52)50-26-9-12-34-58(50)75-61/h1-41H.
What are the key properties of 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 972.12 g/mol, XLogP of 18.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166002837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).