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

C63H44N4O2 — CID 171727220

IUPACN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C63H44N4O2/c1-62(2)50-19-10-6-17-46(50)58-51(62)20-13-21-53(58)67(41-30-31-43-42-14-5-9-18-49(42)63(3,4)52(43)36-41)40-28-24-37(25-29-40)59-64-60(38-26-32-56-47(34-38)44-15-7-11-22-54(44)68-56)66-61(65-59)39-27-33-57-48(35-39)45-16-8-12-23-55(45)69-57/h5-36H,1-4H3
InChIKeyRETXBHDOZOKRLT-UHFFFAOYSA-N
MW889.07 g/mol
LogP16.75
Rot. Bonds6

About 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

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 (PubChem CID 171727220) has the molecular formula C63H44N4O2 and a molecular weight of 889.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171727220
Molecular FormulaC63H44N4O2
Molecular Weight889.07 g/mol
Exact Mass888.35
IUPAC NameN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C63H44N4O2/c1-62(2)50-19-10-6-17-46(50)58-51(62)20-13-21-53(58)67(41-30-31-43-42-14-5-9-18-49(42)63(3,4)52(43)36-41)40-28-24-37(25-29-40)59-64-60(38-26-32-56-47(34-38)44-15-7-11-22-54(44)68-56)66-61(65-59)39-27-33-57-48(35-39)45-16-8-12-23-55(45)69-57/h5-36H,1-4H3
InChIKeyRETXBHDOZOKRLT-UHFFFAOYSA-N
XLogP16.75
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.07
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 177274472
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of 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?
The InChIKey is RETXBHDOZOKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4O2/c1-62(2)50-19-10-6-17-46(50)58-51(62)20-13-21-53(58)67(41-30-31-43-42-14-5-9-18-49(42)63(3,4)52(43)36-41)40-28-24-37(25-29-40)59-64-60(38-26-32-56-47(34-38)44-15-7-11-22-54(44)68-56)66-61(65-59)39-27-33-57-48(35-39)45-16-8-12-23-55(45)69-57/h5-36H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 889.07 g/mol, XLogP of 16.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171727220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).