N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine

C55H37NO — CID 139499277

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccc5cccc6c5c4-c4ccccc4-6)c3)cccc21
InChIInChI=1S/C55H37NO/c1-55(2)47-23-7-5-19-46(47)53-48(55)24-12-25-49(53)56(37-30-27-34(28-31-37)40-20-11-22-45-42-17-6-8-26-50(42)57-54(40)45)38-15-9-14-36(33-38)39-32-29-35-13-10-21-43-41-16-3-4-18-44(41)52(39)51(35)43/h3-33H,1-2H3
InChIKeyOJXVYNXUVNAEBH-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.50
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine (PubChem CID 139499277) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
PubChem CID139499277
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccc5cccc6c5c4-c4ccccc4-6)c3)cccc21
InChIInChI=1S/C55H37NO/c1-55(2)47-23-7-5-19-46(47)53-48(55)24-12-25-49(53)56(37-30-27-34(28-31-37)40-20-11-22-45-42-17-6-8-26-50(42)57-54(40)45)38-15-9-14-36(33-38)39-32-29-35-13-10-21-43-41-16-3-4-18-44(41)52(39)51(35)43/h3-33H,1-2H3
InChIKeyOJXVYNXUVNAEBH-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-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302915
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
CID 142427071
N-(4-dibenzofuran-4-ylphenyl)-2-fluoranthen-3-yl-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 142340770

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine (CID 139499277) is N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccc5cccc6c5c4-c4ccccc4-6)c3)cccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine?
The InChIKey is OJXVYNXUVNAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-55(2)47-23-7-5-19-46(47)53-48(55)24-12-25-49(53)56(37-30-27-34(28-31-37)40-20-11-22-45-42-17-6-8-26-50(42)57-54(40)45)38-15-9-14-36(33-38)39-32-29-35-13-10-21-43-41-16-3-4-18-44(41)52(39)51(35)43/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-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-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 139499277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).