N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine

C61H53NSi — CID 168739419

IUPACN-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc2-c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C61H53NSi/c1-61(2)58-32-18-31-56(55-30-17-22-46-21-15-16-29-54(46)55)60(58)57-42-39-49(43-59(57)61)62(47-35-33-45(34-36-47)44-19-7-3-8-20-44)48-37-40-53(41-38-48)63(50-23-9-4-10-24-50,51-25-11-5-12-26-51)52-27-13-6-14-28-52/h4-6,9-18,21-44H,3,7-8,19-20H2,1-2H3
InChIKeyQJVQIJRUUWKJQG-UHFFFAOYSA-N
MW828.19 g/mol
LogP13.71
Rot. Bonds9

About N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine

N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine (PubChem CID 168739419) has the molecular formula C61H53NSi and a molecular weight of 828.19 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
PubChem CID168739419
Molecular FormulaC61H53NSi
Molecular Weight828.19 g/mol
Exact Mass827.39
IUPAC NameN-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc2-c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C61H53NSi/c1-61(2)58-32-18-31-56(55-30-17-22-46-21-15-16-29-54(46)55)60(58)57-42-39-49(43-59(57)61)62(47-35-33-45(34-36-47)44-19-7-3-8-20-44)48-37-40-53(41-38-48)63(50-23-9-4-10-24-50,51-25-11-5-12-26-51)52-27-13-6-14-28-52/h4-6,9-18,21-44H,3,7-8,19-20H2,1-2H3
InChIKeyQJVQIJRUUWKJQG-UHFFFAOYSA-N
XLogP13.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.19
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N-(4-cyclohexylphenyl)-9,9-dimethyl-4,7-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739013
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
9,9-dimethyl-5-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417762
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-naphthalen-1-ylnaphthalen-1-amine;N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine
CID 164980542
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine (CID 168739419) is N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc2-c2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?
The InChIKey is QJVQIJRUUWKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H53NSi/c1-61(2)58-32-18-31-56(55-30-17-22-46-21-15-16-29-54(46)55)60(58)57-42-39-49(43-59(57)61)62(47-35-33-45(34-36-47)44-19-7-3-8-20-44)48-37-40-53(41-38-48)63(50-23-9-4-10-24-50,51-25-11-5-12-26-51)52-27-13-6-14-28-52/h4-6,9-18,21-44H,3,7-8,19-20H2,1-2H3.
What are the key properties of N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?
N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine has a molecular weight of 828.19 g/mol, XLogP of 13.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine is sourced from PubChem (CID 168739419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).