N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

C58H59N — CID 171439076

IUPACN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc3C4(C)C)ccc21
InChIInChI=1S/C58H59N/c1-56(2)52-13-9-8-12-48(52)50-31-42(16-26-53(50)56)43-17-27-54-51(32-43)49-25-24-47(33-55(49)57(54,3)4)59(45-20-14-41(15-21-45)40-10-6-5-7-11-40)46-22-18-44(19-23-46)58-34-37-28-38(35-58)30-39(29-37)36-58/h8-9,12-27,31-33,37-40H,5-7,10-11,28-30,34-36H2,1-4H3
InChIKeyCQDRTYUHYCHRFP-UHFFFAOYSA-N
MW770.12 g/mol
LogP15.95
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 171439076) has the molecular formula C58H59N and a molecular weight of 770.12 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
PubChem CID171439076
Molecular FormulaC58H59N
Molecular Weight770.12 g/mol
Exact Mass769.46
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc3C4(C)C)ccc21
InChIInChI=1S/C58H59N/c1-56(2)52-13-9-8-12-48(52)50-31-42(16-26-53(50)56)43-17-27-54-51(32-43)49-25-24-47(33-55(49)57(54,3)4)59(45-20-14-41(15-21-45)40-10-6-5-7-11-40)46-22-18-44(19-23-46)58-34-37-28-38(35-58)30-39(29-37)36-58/h8-9,12-27,31-33,37-40H,5-7,10-11,28-30,34-36H2,1-4H3
InChIKeyCQDRTYUHYCHRFP-UHFFFAOYSA-N
XLogP15.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.12
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-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-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738726
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158527340
N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170129564
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine (CID 171439076) is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc3C4(C)C)ccc21.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is CQDRTYUHYCHRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H59N/c1-56(2)52-13-9-8-12-48(52)50-31-42(16-26-53(50)56)43-17-27-54-51(32-43)49-25-24-47(33-55(49)57(54,3)4)59(45-20-14-41(15-21-45)40-10-6-5-7-11-40)46-22-18-44(19-23-46)58-34-37-28-38(35-58)30-39(29-37)36-58/h8-9,12-27,31-33,37-40H,5-7,10-11,28-30,34-36H2,1-4H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine?
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 770.12 g/mol, XLogP of 15.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 171439076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).