N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine

C53H45N — CID 170303584

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4ccccc34)cccc21
InChIInChI=1S/C53H45N/c1-53(2)46-31-11-8-27-45(46)52-44(30-17-32-47(52)53)42-26-10-13-34-50(42)54(48-35-16-21-36-20-6-7-24-39(36)48)49-33-12-9-25-41(49)43-29-15-23-38-22-14-28-40(51(38)43)37-18-4-3-5-19-37/h6-17,20-35,37H,3-5,18-19H2,1-2H3
InChIKeyFHLDLYRANZORAZ-UHFFFAOYSA-N
MW695.95 g/mol
LogP15.15
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine (PubChem CID 170303584) has the molecular formula C53H45N and a molecular weight of 695.95 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
PubChem CID170303584
Molecular FormulaC53H45N
Molecular Weight695.95 g/mol
Exact Mass695.36
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4ccccc34)cccc21
InChIInChI=1S/C53H45N/c1-53(2)46-31-11-8-27-45(46)52-44(30-17-32-47(52)53)42-26-10-13-34-50(42)54(48-35-16-21-36-20-6-7-24-39(36)48)49-33-12-9-25-41(49)43-29-15-23-38-22-14-28-40(51(38)43)37-18-4-3-5-19-37/h6-17,20-35,37H,3-5,18-19H2,1-2H3
InChIKeyFHLDLYRANZORAZ-UHFFFAOYSA-N
XLogP15.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.95
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 170303604
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]-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293124
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]-N-(2-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 170303000
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302741
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-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
CID 170292985
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-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine (CID 170303584) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c3cccc4ccccc34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine?
The InChIKey is FHLDLYRANZORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N/c1-53(2)46-31-11-8-27-45(46)52-44(30-17-32-47(52)53)42-26-10-13-34-50(42)54(48-35-16-21-36-20-6-7-24-39(36)48)49-33-12-9-25-41(49)43-29-15-23-38-22-14-28-40(51(38)43)37-18-4-3-5-19-37/h6-17,20-35,37H,3-5,18-19H2,1-2H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine has a molecular weight of 695.95 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170303584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).