N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine

C55H37NO — CID 142340691

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C55H37NO/c1-55(2)50-19-7-5-13-43(50)44-30-29-38(33-51(44)55)56(37-27-23-35(24-28-37)40-15-9-18-49-45-14-6-8-20-52(45)57-54(40)49)36-25-21-34(22-26-36)39-31-32-48-42-12-4-3-11-41(42)47-17-10-16-46(39)53(47)48/h3-33H,1-2H3
InChIKeyIYNZLAUPILBMQL-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.50
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 142340691) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID142340691
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C55H37NO/c1-55(2)50-19-7-5-13-43(50)44-30-29-38(33-51(44)55)56(37-27-23-35(24-28-37)40-15-9-18-49-45-14-6-8-20-52(45)57-54(40)49)36-25-21-34(22-26-36)39-31-32-48-42-12-4-3-11-41(42)47-17-10-16-46(39)53(47)48/h3-33H,1-2H3
InChIKeyIYNZLAUPILBMQL-UHFFFAOYSA-N
XLogP15.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 158906681
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123846353
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine (CID 142340691) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is IYNZLAUPILBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-55(2)50-19-7-5-13-43(50)44-30-29-38(33-51(44)55)56(37-27-23-35(24-28-37)40-15-9-18-49-45-14-6-8-20-52(45)57-54(40)49)36-25-21-34(22-26-36)39-31-32-48-42-12-4-3-11-41(42)47-17-10-16-46(39)53(47)48/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 727.91 g/mol, XLogP of 15.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 142340691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).