N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline

C55H39NO — CID 167323768

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c21
InChIInChI=1S/C55H39NO/c1-55(2)51-19-7-5-15-47(51)49-18-10-17-46(54(49)55)38-25-30-44(31-26-38)56(45-14-9-13-40(34-45)41-22-21-36-11-3-4-12-39(36)33-41)43-28-23-37(24-29-43)42-27-32-53-50(35-42)48-16-6-8-20-52(48)57-53/h3-35H,1-2H3
InChIKeyRXZSAUXUNNFOQL-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline (PubChem CID 167323768) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
PubChem CID167323768
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c21
InChIInChI=1S/C55H39NO/c1-55(2)51-19-7-5-15-47(51)49-18-10-17-46(54(49)55)38-25-30-44(31-26-38)56(45-14-9-13-40(34-45)41-22-21-36-11-3-4-12-39(36)33-41)43-28-23-37(24-29-43)42-27-32-53-50(35-42)48-16-6-8-20-52(48)57-53/h3-35H,1-2H3
InChIKeyRXZSAUXUNNFOQL-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324263
N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739
N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 162510720
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 158112378
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 160649120
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;methane
CID 160895510
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 157172121

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline (CID 167323768) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline?
The InChIKey is RXZSAUXUNNFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)51-19-7-5-15-47(51)49-18-10-17-46(54(49)55)38-25-30-44(31-26-38)56(45-14-9-13-40(34-45)41-22-21-36-11-3-4-12-39(36)33-41)43-28-23-37(24-29-43)42-27-32-53-50(35-42)48-16-6-8-20-52(48)57-53/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline is sourced from PubChem (CID 167323768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).