N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine

C58H38N4O — CID 176818069

IUPACN-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5c34)n2)cc1
InChIInChI=1S/C58H38N4O/c1-6-20-39(21-7-1)55-59-56(40-22-8-2-9-23-40)61-57(60-55)48-32-19-35-51-53(48)47-37-36-44(38-52(47)63-51)62(43-28-14-5-15-29-43)50-34-18-31-46-45-30-16-17-33-49(45)58(54(46)50,41-24-10-3-11-25-41)42-26-12-4-13-27-42/h1-38H
InChIKeyBHPJJWFOQRMASC-UHFFFAOYSA-N
MW806.97 g/mol
LogP14.60
Rot. Bonds8

About N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine

N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine (PubChem CID 176818069) has the molecular formula C58H38N4O and a molecular weight of 806.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
PubChem CID176818069
Molecular FormulaC58H38N4O
Molecular Weight806.97 g/mol
Exact Mass806.30
IUPAC NameN-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5c34)n2)cc1
InChIInChI=1S/C58H38N4O/c1-6-20-39(21-7-1)55-59-56(40-22-8-2-9-23-40)61-57(60-55)48-32-19-35-51-53(48)47-37-36-44(38-52(47)63-51)62(43-28-14-5-15-29-43)50-34-18-31-46-45-30-16-17-33-49(45)58(54(46)50,41-24-10-3-11-25-41)42-26-12-4-13-27-42/h1-38H
InChIKeyBHPJJWFOQRMASC-UHFFFAOYSA-N
XLogP14.60
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine
CID 176818367
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 118699638
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
2-(9,9-diphenylfluoren-3-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170680887
3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170666333
7-(11-phenylbenzo[a]fluoren-11-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163721882

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine (CID 176818069) is N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5c34)n2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The InChIKey is BHPJJWFOQRMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4O/c1-6-20-39(21-7-1)55-59-56(40-22-8-2-9-23-40)61-57(60-55)48-32-19-35-51-53(48)47-37-36-44(38-52(47)63-51)62(43-28-14-5-15-29-43)50-34-18-31-46-45-30-16-17-33-49(45)58(54(46)50,41-24-10-3-11-25-41)42-26-12-4-13-27-42/h1-38H.
What are the key properties of N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine has a molecular weight of 806.97 g/mol, XLogP of 14.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176818069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).