N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine

C58H41NO — CID 167309850

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C58H41NO/c1-57(2)48-27-11-6-23-43(48)46-35-34-41(37-51(46)57)59(53-31-17-33-55-56(53)47-26-10-15-32-54(47)60-55)52-30-14-9-22-42(52)38-18-16-21-40(36-38)58(39-19-4-3-5-20-39)49-28-12-7-24-44(49)45-25-8-13-29-50(45)58/h3-37H,1-2H3
InChIKeyXNSQXPJWRBOKMM-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.39
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 167309850) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID167309850
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C58H41NO/c1-57(2)48-27-11-6-23-43(48)46-35-34-41(37-51(46)57)59(53-31-17-33-55-56(53)47-26-10-15-32-54(47)60-55)52-30-14-9-22-42(52)38-18-16-21-40(36-38)58(39-19-4-3-5-20-39)49-28-12-7-24-44(49)45-25-8-13-29-50(45)58/h3-37H,1-2H3
InChIKeyXNSQXPJWRBOKMM-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163701550
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)dibenzofuran-1-amine
CID 138484796
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine (CID 167309850) is N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is XNSQXPJWRBOKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)48-27-11-6-23-43(48)46-35-34-41(37-51(46)57)59(53-31-17-33-55-56(53)47-26-10-15-32-54(47)60-55)52-30-14-9-22-42(52)38-18-16-21-40(36-38)58(39-19-4-3-5-20-39)49-28-12-7-24-44(49)45-25-8-13-29-50(45)58/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 767.97 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 167309850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).