4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine

C54H34N4O2S — CID 171727185

IUPAC4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C54H34N4O2S/c1-54(2)41-16-7-3-12-34(41)35-25-24-33(30-42(35)54)58(43-17-11-21-49-50(43)38-15-6-10-20-48(38)61-49)53-56-51(31-22-26-46-39(28-31)36-13-4-8-18-44(36)59-46)55-52(57-53)32-23-27-47-40(29-32)37-14-5-9-19-45(37)60-47/h3-30H,1-2H3
InChIKeyBBXFZKANVANABT-UHFFFAOYSA-N
MW802.96 g/mol
LogP15.15
Rot. Bonds5

About 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine

4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine (PubChem CID 171727185) has the molecular formula C54H34N4O2S and a molecular weight of 802.96 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
PubChem CID171727185
Molecular FormulaC54H34N4O2S
Molecular Weight802.96 g/mol
Exact Mass802.24
IUPAC Name4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C54H34N4O2S/c1-54(2)41-16-7-3-12-34(41)35-25-24-33(30-42(35)54)58(43-17-11-21-49-50(43)38-15-6-10-20-48(38)61-49)53-56-51(31-22-26-46-39(28-31)36-13-4-8-18-44(36)59-46)55-52(57-53)32-23-27-47-40(29-32)37-14-5-9-19-45(37)60-47/h3-30H,1-2H3
InChIKeyBBXFZKANVANABT-UHFFFAOYSA-N
XLogP15.15
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.96
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
CID 171726884
N-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171727220
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171727012
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170301437
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096050
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369807
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003181
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727168
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171726917

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine (CID 171727185) is 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is BBXFZKANVANABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O2S/c1-54(2)41-16-7-3-12-34(41)35-25-24-33(30-42(35)54)58(43-17-11-21-49-50(43)38-15-6-10-20-48(38)61-49)53-56-51(31-22-26-46-39(28-31)36-13-4-8-18-44(36)59-46)55-52(57-53)32-23-27-47-40(29-32)37-14-5-9-19-45(37)60-47/h3-30H,1-2H3.
What are the key properties of 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine?
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 802.96 g/mol, XLogP of 15.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).