4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine

C57H39NO2 — CID 176824569

IUPAC4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)cc3)c21
InChIInChI=1S/C57H39NO2/c1-57(2)49-27-11-8-20-42(49)44-24-14-23-39(54(44)57)36-30-32-38(33-31-36)58(37-16-4-3-5-17-37)50-35-34-47(56-53(50)48-22-10-13-29-52(48)60-56)41-19-7-6-18-40(41)45-25-15-26-46-43-21-9-12-28-51(43)59-55(45)46/h3-35H,1-2H3
InChIKeyQHIQOYZDGQVSBD-UHFFFAOYSA-N
MW769.94 g/mol
LogP16.26
Rot. Bonds6

About 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine

4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 176824569) has the molecular formula C57H39NO2 and a molecular weight of 769.94 g/mol. Its IUPAC name is 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID176824569
Molecular FormulaC57H39NO2
Molecular Weight769.94 g/mol
Exact Mass769.30
IUPAC Name4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)cc3)c21
InChIInChI=1S/C57H39NO2/c1-57(2)49-27-11-8-20-42(49)44-24-14-23-39(54(44)57)36-30-32-38(33-31-36)58(37-16-4-3-5-17-37)50-35-34-47(56-53(50)48-22-10-13-29-52(48)60-56)41-19-7-6-18-40(41)45-25-15-26-46-43-21-9-12-28-51(43)59-55(45)46/h3-35H,1-2H3
InChIKeyQHIQOYZDGQVSBD-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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
CID 167232184
N-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139498916
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine (CID 176824569) is 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5cccc6c5oc5ccccc56)c5oc6ccccc6c45)cc3)c21.
What is the InChIKey of 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is QHIQOYZDGQVSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO2/c1-57(2)49-27-11-8-20-42(49)44-24-14-23-39(54(44)57)36-30-32-38(33-31-36)58(37-16-4-3-5-17-37)50-35-34-47(56-53(50)48-22-10-13-29-52(48)60-56)41-19-7-6-18-40(41)45-25-15-26-46-43-21-9-12-28-51(43)59-55(45)46/h3-35H,1-2H3.
What are the key properties of 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine?
4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-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 4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176824569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).