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

C66H53N — CID 170293079

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
InChIInChI=1S/C66H53N/c1-66(54-23-9-4-10-24-54)62-29-13-11-25-58(62)59-44-39-53(45-63(59)66)50-37-42-56(43-38-50)67(55-40-35-49(36-41-55)48-33-31-47(32-34-48)46-17-5-2-6-18-46)64-30-14-12-26-60(64)61-28-16-22-52-21-15-27-57(65(52)61)51-19-7-3-8-20-51/h2,4-6,9-18,21-45,51H,3,7-8,19-20H2,1H3
InChIKeySPUFDGCWJLQQEG-UHFFFAOYSA-N
MW860.16 g/mol
LogP18.36
Rot. Bonds9

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170293079) has the molecular formula C66H53N and a molecular weight of 860.16 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170293079
Molecular FormulaC66H53N
Molecular Weight860.16 g/mol
Exact Mass859.42
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
InChIInChI=1S/C66H53N/c1-66(54-23-9-4-10-24-54)62-29-13-11-25-58(62)59-44-39-53(45-63(59)66)50-37-42-56(43-38-50)67(55-40-35-49(36-41-55)48-33-31-47(32-34-48)46-17-5-2-6-18-46)64-30-14-12-26-60(64)61-28-16-22-52-21-15-27-57(65(52)61)51-19-7-3-8-20-51/h2,4-6,9-18,21-45,51H,3,7-8,19-20H2,1H3
InChIKeySPUFDGCWJLQQEG-UHFFFAOYSA-N
XLogP18.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.16
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
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-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
CID 170302877
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-6-methyl-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9-diphenyl-5,6-dihydrofluoren-2-amine
CID 170303812
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
CID 170289431
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303870
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-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302749

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170293079) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is SPUFDGCWJLQQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53N/c1-66(54-23-9-4-10-24-54)62-29-13-11-25-58(62)59-44-39-53(45-63(59)66)50-37-42-56(43-38-50)67(55-40-35-49(36-41-55)48-33-31-47(32-34-48)46-17-5-2-6-18-46)64-30-14-12-26-60(64)61-28-16-22-52-21-15-27-57(65(52)61)51-19-7-3-8-20-51/h2,4-6,9-18,21-45,51H,3,7-8,19-20H2,1H3.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 860.16 g/mol, XLogP of 18.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170293079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).