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

C55H45NO — CID 170302819

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C55H45NO/c1-55(2)48-26-10-6-21-42(48)43-32-30-38(34-49(43)55)40-20-7-11-27-50(40)56(39-31-33-46-45-23-9-13-29-52(45)57-53(46)35-39)51-28-12-8-22-44(51)47-25-15-19-37-18-14-24-41(54(37)47)36-16-4-3-5-17-36/h6-15,18-36H,3-5,16-17H2,1-2H3
InChIKeyJYPNTSJFFOKYOG-UHFFFAOYSA-N
MW735.97 g/mol
LogP15.90
Rot. Bonds6

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine (PubChem CID 170302819) 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-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
PubChem CID170302819
Molecular FormulaC55H45NO
Molecular Weight735.97 g/mol
Exact Mass735.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C55H45NO/c1-55(2)48-26-10-6-21-42(48)43-32-30-38(34-49(43)55)40-20-7-11-27-50(40)56(39-31-33-46-45-23-9-13-29-52(45)57-53(46)35-39)51-28-12-8-22-44(51)47-25-15-19-37-18-14-24-41(54(37)47)36-16-4-3-5-17-36/h6-15,18-36H,3-5,16-17H2,1-2H3
InChIKeyJYPNTSJFFOKYOG-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

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
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-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 170302895
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(6-dibenzofuran-3-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-(9,9-dimethylfluoren-2-yl)aniline
CID 170302739
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302893
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
CID 170302877
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-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine (CID 170302819) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is JYPNTSJFFOKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45NO/c1-55(2)48-26-10-6-21-42(48)43-32-30-38(34-49(43)55)40-20-7-11-27-50(40)56(39-31-33-46-45-23-9-13-29-52(45)57-53(46)35-39)51-28-12-8-22-44(51)47-25-15-19-37-18-14-24-41(54(37)47)36-16-4-3-5-17-36/h6-15,18-36H,3-5,16-17H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-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-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170302819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).