N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine

C58H40N4O — CID 176817623

IUPACN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c34)cc21
InChIInChI=1S/C58H40N4O/c1-58(2)50-25-12-11-23-46(50)47-31-29-44(35-51(47)58)62(43-28-27-38-17-9-10-20-41(38)34-43)45-30-32-48-53(36-45)63-52-26-14-24-49(54(48)52)57-60-55(39-18-7-4-8-19-39)59-56(61-57)42-22-13-21-40(33-42)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyPMUPBHWLNPUFGM-UHFFFAOYSA-N
MW808.99 g/mol
LogP15.37
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine (PubChem CID 176817623) has the molecular formula C58H40N4O and a molecular weight of 808.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
PubChem CID176817623
Molecular FormulaC58H40N4O
Molecular Weight808.99 g/mol
Exact Mass808.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c34)cc21
InChIInChI=1S/C58H40N4O/c1-58(2)50-25-12-11-23-46(50)47-31-29-44(35-51(47)58)62(43-28-27-38-17-9-10-20-41(38)34-43)45-30-32-48-53(36-45)63-52-26-14-24-49(54(48)52)57-60-55(39-18-7-4-8-19-39)59-56(61-57)42-22-13-21-40(33-42)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyPMUPBHWLNPUFGM-UHFFFAOYSA-N
XLogP15.37
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
CID 170093188
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680970
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681105
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 169280951
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
2-dibenzofuran-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
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,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine (CID 176817623) is N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
The InChIKey is PMUPBHWLNPUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4O/c1-58(2)50-25-12-11-23-46(50)47-31-29-44(35-51(47)58)62(43-28-27-38-17-9-10-20-41(38)34-43)45-30-32-48-53(36-45)63-52-26-14-24-49(54(48)52)57-60-55(39-18-7-4-8-19-39)59-56(61-57)42-22-13-21-40(33-42)37-15-5-3-6-16-37/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine has a molecular weight of 808.99 g/mol, XLogP of 15.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 176817623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).