N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

C56H59N — CID 168739075

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(C4CCCCC4)cc3)ccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C56H59N/c1-56(2)52-35-44(40-23-21-39(22-24-40)38-11-5-3-6-12-38)27-31-49(52)50-32-30-47(36-53(50)56)57(46-28-25-42(26-29-46)51-34-37-19-20-45(51)33-37)54-18-10-16-43-15-9-17-48(55(43)54)41-13-7-4-8-14-41/h9-10,15-18,21-32,35-38,41,45,51H,3-8,11-14,19-20,33-34H2,1-2H3
InChIKeyOIZRIVHEQGJXMI-UHFFFAOYSA-N
MW746.10 g/mol
LogP16.28
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 168739075) has the molecular formula C56H59N and a molecular weight of 746.10 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID168739075
Molecular FormulaC56H59N
Molecular Weight746.10 g/mol
Exact Mass745.46
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(C4CCCCC4)cc3)ccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C56H59N/c1-56(2)52-35-44(40-23-21-39(22-24-40)38-11-5-3-6-12-38)27-31-49(52)50-32-30-47(36-53(50)56)57(46-28-25-42(26-29-46)51-34-37-19-20-45(51)33-37)54-18-10-16-43-15-9-17-48(55(43)54)41-13-7-4-8-14-41/h9-10,15-18,21-32,35-38,41,45,51H,3-8,11-14,19-20,33-34H2,1-2H3
InChIKeyOIZRIVHEQGJXMI-UHFFFAOYSA-N
XLogP16.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.10
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738754
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 168738756
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738878
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 168739409
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168739394
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738962
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168739156
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168739128

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (CID 168739075) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(-c3ccc(C4CCCCC4)cc3)ccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc4cccc(C5CCCCC5)c34)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is OIZRIVHEQGJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H59N/c1-56(2)52-35-44(40-23-21-39(22-24-40)38-11-5-3-6-12-38)27-31-49(52)50-32-30-47(36-53(50)56)57(46-28-25-42(26-29-46)51-34-37-19-20-45(51)33-37)54-18-10-16-43-15-9-17-48(55(43)54)41-13-7-4-8-14-41/h9-10,15-18,21-32,35-38,41,45,51H,3-8,11-14,19-20,33-34H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 746.10 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168739075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).