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

C61H49NO — CID 170302878

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21
InChIInChI=1S/C61H49NO/c1-61(2)54-25-9-6-21-52(54)60-48(23-14-26-55(60)61)42-31-36-46(37-32-42)62(45-34-29-40(30-35-45)44-33-38-58-53(39-44)50-20-8-11-28-57(50)63-58)56-27-10-7-19-49(56)51-24-13-18-43-17-12-22-47(59(43)51)41-15-4-3-5-16-41/h6-14,17-39,41H,3-5,15-16H2,1-2H3
InChIKeyRUAJANBHULHSMT-UHFFFAOYSA-N
MW812.07 g/mol
LogP17.56
Rot. Bonds7

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline (PubChem CID 170302878) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
PubChem CID170302878
Molecular FormulaC61H49NO
Molecular Weight812.07 g/mol
Exact Mass811.38
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21
InChIInChI=1S/C61H49NO/c1-61(2)54-25-9-6-21-52(54)60-48(23-14-26-55(60)61)42-31-36-46(37-32-42)62(45-34-29-40(30-35-45)44-33-38-58-53(39-44)50-20-8-11-28-57(50)63-58)56-27-10-7-19-49(56)51-24-13-18-43-17-12-22-47(59(43)51)41-15-4-3-5-16-41/h6-14,17-39,41H,3-5,15-16H2,1-2H3
InChIKeyRUAJANBHULHSMT-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-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
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-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302915
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
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
CID 170302877
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
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)-2-(9,9-dimethylfluoren-4-yl)aniline
CID 170302903
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-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline (CID 170302878) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
The InChIKey is RUAJANBHULHSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-61(2)54-25-9-6-21-52(54)60-48(23-14-26-55(60)61)42-31-36-46(37-32-42)62(45-34-29-40(30-35-45)44-33-38-58-53(39-44)50-20-8-11-28-57(50)63-58)56-27-10-7-19-49(56)51-24-13-18-43-17-12-22-47(59(43)51)41-15-4-3-5-16-41/h6-14,17-39,41H,3-5,15-16H2,1-2H3.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]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 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 170302878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).