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

C66H51NO — CID 170302877

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
InChIInChI=1S/C66H51NO/c1-66(50-20-6-3-7-21-50)60-27-11-8-22-54(60)55-40-34-49(43-61(55)66)45-32-38-52(39-33-45)67(51-36-30-44(31-37-51)48-35-41-64-59(42-48)57-24-10-13-29-63(57)68-64)62-28-12-9-23-56(62)58-26-15-19-47-18-14-25-53(65(47)58)46-16-4-2-5-17-46/h3,6-15,18-43,46H,2,4-5,16-17H2,1H3
InChIKeyYMOJXDBHWBGEMH-UHFFFAOYSA-N
MW874.14 g/mol
LogP18.59
Rot. Bonds8

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline (PubChem CID 170302877) has the molecular formula C66H51NO and a molecular weight of 874.14 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
PubChem CID170302877
Molecular FormulaC66H51NO
Molecular Weight874.14 g/mol
Exact Mass873.40
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
InChIInChI=1S/C66H51NO/c1-66(50-20-6-3-7-21-50)60-27-11-8-22-54(60)55-40-34-49(43-61(55)66)45-32-38-52(39-33-45)67(51-36-30-44(31-37-51)48-35-41-64-59(42-48)57-24-10-13-29-63(57)68-64)62-28-12-9-23-56(62)58-26-15-19-47-18-14-25-53(65(47)58)46-16-4-2-5-17-46/h3,6-15,18-43,46H,2,4-5,16-17H2,1H3
InChIKeyYMOJXDBHWBGEMH-UHFFFAOYSA-N
XLogP18.59
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.14
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302749
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
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-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
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-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
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]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
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-methyl-9-phenylfluoren-2-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline (CID 170302877) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline?
The InChIKey is YMOJXDBHWBGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51NO/c1-66(50-20-6-3-7-21-50)60-27-11-8-22-54(60)55-40-34-49(43-61(55)66)45-32-38-52(39-33-45)67(51-36-30-44(31-37-51)48-35-41-64-59(42-48)57-24-10-13-29-63(57)68-64)62-28-12-9-23-56(62)58-26-15-19-47-18-14-25-53(65(47)58)46-16-4-2-5-17-46/h3,6-15,18-43,46H,2,4-5,16-17H2,1H3.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline has a molecular weight of 874.14 g/mol, XLogP of 18.59, 8 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-methyl-9-phenylfluoren-2-yl)phenyl]aniline is sourced from PubChem (CID 170302877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).