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

C61H49NO — CID 170302903

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C61H49NO/c1-61(2)52-34-11-6-28-51(52)59-48(31-19-35-53(59)61)44-25-8-13-37-55(44)62(56-38-14-9-26-45(56)49-32-18-33-50-46-27-10-15-39-57(46)63-60(49)50)54-36-12-7-24-43(54)47-30-17-23-41-22-16-29-42(58(41)47)40-20-4-3-5-21-40/h6-19,22-40H,3-5,20-21H2,1-2H3
InChIKeyGOINBUXRFZOSKM-UHFFFAOYSA-N
MW812.07 g/mol
LogP17.56
Rot. Bonds7

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline (PubChem CID 170302903) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
PubChem CID170302903
Molecular FormulaC61H49NO
Molecular Weight812.07 g/mol
Exact Mass811.38
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C61H49NO/c1-61(2)52-34-11-6-28-51(52)59-48(31-19-35-53(59)61)44-25-8-13-37-55(44)62(56-38-14-9-26-45(56)49-32-18-33-50-46-27-10-15-39-57(46)63-60(49)50)54-36-12-7-24-43(54)47-30-17-23-41-22-16-29-42(58(41)47)40-20-4-3-5-21-40/h6-19,22-40H,3-5,20-21H2,1-2H3
InChIKeyGOINBUXRFZOSKM-UHFFFAOYSA-N
XLogP17.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-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-4-yl)phenyl]naphthalen-1-amine
CID 170303584
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 170303604
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-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
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]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]dibenzofuran-1-amine
CID 170302843
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-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 170300885
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline (CID 170302903) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3ccccc34)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline?
The InChIKey is GOINBUXRFZOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-61(2)52-34-11-6-28-51(52)59-48(31-19-35-53(59)61)44-25-8-13-37-55(44)62(56-38-14-9-26-45(56)49-32-18-33-50-46-27-10-15-39-57(46)63-60(49)50)54-36-12-7-24-43(54)47-30-17-23-41-22-16-29-42(58(41)47)40-20-4-3-5-21-40/h6-19,22-40H,3-5,20-21H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline has a molecular weight of 812.07 g/mol, XLogP of 17.56, 7 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-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)aniline is sourced from PubChem (CID 170302903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).