N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine

C52H51N — CID 168739269

IUPACN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)cc21
InChIInChI=1S/C52H51N/c1-51(2)48-32-41(38-14-8-4-9-15-38)20-27-46(48)50-47(40-16-10-5-11-17-40)33-45(34-49(50)51)53(43-23-18-39(19-24-43)37-12-6-3-7-13-37)44-25-21-42(22-26-44)52-30-28-36(35-52)29-31-52/h4-5,8-11,14-27,32-34,36-37H,3,6-7,12-13,28-31,35H2,1-2H3
InChIKeyVGOLLOMNUFCOGZ-UHFFFAOYSA-N
MW689.99 g/mol
LogP14.68
Rot. Bonds7

About N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine

N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine (PubChem CID 168739269) has the molecular formula C52H51N and a molecular weight of 689.99 g/mol. Its IUPAC name is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine
PubChem CID168739269
Molecular FormulaC52H51N
Molecular Weight689.99 g/mol
Exact Mass689.40
IUPAC NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)cc21
InChIInChI=1S/C52H51N/c1-51(2)48-32-41(38-14-8-4-9-15-38)20-27-46(48)50-47(40-16-10-5-11-17-40)33-45(34-49(50)51)53(43-23-18-39(19-24-43)37-12-6-3-7-13-37)44-25-21-42(22-26-44)52-30-28-36(35-52)29-31-52/h4-5,8-11,14-27,32-34,36-37H,3,6-7,12-13,28-31,35H2,1-2H3
InChIKeyVGOLLOMNUFCOGZ-UHFFFAOYSA-N
XLogP14.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.99
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739013
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543241
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739064
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738726
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(2-phenylphenyl)fluoren-2-amine
CID 168738841
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine
CID 168739032
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738709
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine (CID 168739269) is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3ccccc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CCC(CC4)C5)cc3)cc21.
What is the InChIKey of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine?
The InChIKey is VGOLLOMNUFCOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N/c1-51(2)48-32-41(38-14-8-4-9-15-38)20-27-46(48)50-47(40-16-10-5-11-17-40)33-45(34-49(50)51)53(43-23-18-39(19-24-43)37-12-6-3-7-13-37)44-25-21-42(22-26-44)52-30-28-36(35-52)29-31-52/h4-5,8-11,14-27,32-34,36-37H,3,6-7,12-13,28-31,35H2,1-2H3.
What are the key properties of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine?
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine has a molecular weight of 689.99 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenylfluoren-2-amine is sourced from PubChem (CID 168739269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).