N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine

C55H45NO — CID 170302816

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21
InChIInChI=1S/C55H45NO/c1-55(2)48-25-9-6-21-47(48)54-42(23-14-26-49(54)55)37-29-31-39(32-30-37)56(40-33-34-45-44-20-8-11-28-51(44)57-52(45)35-40)50-27-10-7-19-43(50)46-24-13-18-38-17-12-22-41(53(38)46)36-15-4-3-5-16-36/h6-14,17-36H,3-5,15-16H2,1-2H3
InChIKeyGAIVFHSSZKAJMO-UHFFFAOYSA-N
MW735.97 g/mol
LogP15.90
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine (PubChem CID 170302816) has the molecular formula C55H45NO and a molecular weight of 735.97 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
PubChem CID170302816
Molecular FormulaC55H45NO
Molecular Weight735.97 g/mol
Exact Mass735.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21
InChIInChI=1S/C55H45NO/c1-55(2)48-25-9-6-21-47(48)54-42(23-14-26-49(54)55)37-29-31-39(32-30-37)56(40-33-34-45-44-20-8-11-28-51(44)57-52(45)35-40)50-27-10-7-19-43(50)46-24-13-18-38-17-12-22-41(53(38)46)36-15-4-3-5-16-36/h6-14,17-36H,3-5,15-16H2,1-2H3
InChIKeyGAIVFHSSZKAJMO-UHFFFAOYSA-N
XLogP15.90
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.97
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302741
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302915
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302893
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303741
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 170302895
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302903
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302749
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine (CID 170302816) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is GAIVFHSSZKAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NO/c1-55(2)48-25-9-6-21-47(48)54-42(23-14-26-49(54)55)37-29-31-39(32-30-37)56(40-33-34-45-44-20-8-11-28-51(44)57-52(45)35-40)50-27-10-7-19-43(50)46-24-13-18-38-17-12-22-41(53(38)46)36-15-4-3-5-16-36/h6-14,17-36H,3-5,15-16H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 735.97 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170302816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).