N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C59H67N — CID 155466796

IUPACN-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C59H67N/c1-57(2,3)48-34-47(35-49(38-48)58(4,5)6)46-33-45(44-25-23-42(24-26-44)40-17-11-9-12-18-40)36-52(37-46)60(50-29-27-43(28-30-50)41-19-13-10-14-20-41)51-31-32-54-53-21-15-16-22-55(53)59(7,8)56(54)39-51/h15-16,21-41H,9-14,17-20H2,1-8H3
InChIKeyIDTGWDOZPVFJIE-UHFFFAOYSA-N
MW790.19 g/mol
LogP17.49
Rot. Bonds7

About N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155466796) has the molecular formula C59H67N and a molecular weight of 790.19 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155466796
Molecular FormulaC59H67N
Molecular Weight790.19 g/mol
Exact Mass789.53
IUPAC NameN-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C59H67N/c1-57(2,3)48-34-47(35-49(38-48)58(4,5)6)46-33-45(44-25-23-42(24-26-44)40-17-11-9-12-18-40)36-52(37-46)60(50-29-27-43(28-30-50)41-19-13-10-14-20-41)51-31-32-54-53-21-15-16-22-55(53)59(7,8)56(54)39-51/h15-16,21-41H,9-14,17-20H2,1-8H3
InChIKeyIDTGWDOZPVFJIE-UHFFFAOYSA-N
XLogP17.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.19
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160561456
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157220198
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N,N-bis[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 159159081
N-[3-tert-butyl-5-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157479942
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine
CID 155467234
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467178
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160916569

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 155466796) is N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cc(-c3ccc(C4CCCCC4)cc3)cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(C(C)(C)C)c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is IDTGWDOZPVFJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H67N/c1-57(2,3)48-34-47(35-49(38-48)58(4,5)6)46-33-45(44-25-23-42(24-26-44)40-17-11-9-12-18-40)36-52(37-46)60(50-29-27-43(28-30-50)41-19-13-10-14-20-41)51-31-32-54-53-21-15-16-22-55(53)59(7,8)56(54)39-51/h15-16,21-41H,9-14,17-20H2,1-8H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 790.19 g/mol, XLogP of 17.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155466796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).