N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine

C57H39NO2 — CID 177280731

IUPACN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H39NO2/c1-57(2)48-22-12-9-19-43(48)44-27-25-41(34-49(44)57)58(42-26-28-46-45-20-10-13-23-51(45)60-54(46)35-42)50-29-30-53-56(47-21-11-14-24-52(47)59-53)55(50)40-32-38(36-15-5-3-6-16-36)31-39(33-40)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyJHLCRDFFXPBRDI-UHFFFAOYSA-N
MW769.94 g/mol
LogP16.26
Rot. Bonds6

About N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine

N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine (PubChem CID 177280731) has the molecular formula C57H39NO2 and a molecular weight of 769.94 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
PubChem CID177280731
Molecular FormulaC57H39NO2
Molecular Weight769.94 g/mol
Exact Mass769.30
IUPAC NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H39NO2/c1-57(2)48-22-12-9-19-43(48)44-27-25-41(34-49(44)57)58(42-26-28-46-45-20-10-13-23-51(45)60-54(46)35-42)50-29-30-53-56(47-21-11-14-24-52(47)59-53)55(50)40-32-38(36-15-5-3-6-16-36)31-39(33-40)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyJHLCRDFFXPBRDI-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.94
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-triphenylen-2-yldibenzofuran-2-amine
CID 177281181
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177281165
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281250
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine (CID 177280731) is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21.
What is the InChIKey of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The InChIKey is JHLCRDFFXPBRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO2/c1-57(2)48-22-12-9-19-43(48)44-27-25-41(34-49(44)57)58(42-26-28-46-45-20-10-13-23-51(45)60-54(46)35-42)50-29-30-53-56(47-21-11-14-24-52(47)59-53)55(50)40-32-38(36-15-5-3-6-16-36)31-39(33-40)37-17-7-4-8-18-37/h3-35H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine has a molecular weight of 769.94 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177280731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).