N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

C58H59N — CID 171439101

IUPACN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc3C4(C)C)cccc21
InChIInChI=1S/C58H59N/c1-56(2)50-17-9-8-14-48(50)54-46(15-10-18-51(54)56)47-16-11-19-52-55(47)49-29-28-45(33-53(49)57(52,3)4)59(43-24-20-41(21-25-43)40-12-6-5-7-13-40)44-26-22-42(23-27-44)58-34-37-30-38(35-58)32-39(31-37)36-58/h8-11,14-29,33,37-40H,5-7,12-13,30-32,34-36H2,1-4H3
InChIKeyMBSYGYSXRIXKPW-UHFFFAOYSA-N
MW770.12 g/mol
LogP15.95
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 171439101) 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)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
PubChem CID171439101
Molecular FormulaC58H59N
Molecular Weight770.12 g/mol
Exact Mass769.46
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc3C4(C)C)cccc21
InChIInChI=1S/C58H59N/c1-56(2)50-17-9-8-14-48(50)54-46(15-10-18-51(54)56)47-16-11-19-52-55(47)49-29-28-45(33-53(49)57(52,3)4)59(43-24-20-41(21-25-43)40-12-6-5-7-13-40)44-26-22-42(23-27-44)58-34-37-30-38(35-58)32-39(31-37)36-58/h8-11,14-29,33,37-40H,5-7,12-13,30-32,34-36H2,1-4H3
InChIKeyMBSYGYSXRIXKPW-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)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662
N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170129564
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 159219718
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162222684
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-2-tert-butylcyclohexyl]phenyl]-9,9-dimethyl-N,5-diphenylfluoren-2-amine
CID 171416141
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (CID 171439101) is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc3C4(C)C)cccc21.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is MBSYGYSXRIXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H59N/c1-56(2)50-17-9-8-14-48(50)54-46(15-10-18-51(54)56)47-16-11-19-52-55(47)49-29-28-45(33-53(49)57(52,3)4)59(43-24-20-41(21-25-43)40-12-6-5-7-13-40)44-26-22-42(23-27-44)58-34-37-30-38(35-58)32-39(31-37)36-58/h8-11,14-29,33,37-40H,5-7,12-13,30-32,34-36H2,1-4H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-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)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 171439101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).