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

C61H73N — CID 160916569

IUPACN-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C3CCCCC3)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C61H73N/c1-57(2,3)45-31-41(43-33-46(58(4,5)6)37-47(34-43)59(7,8)9)30-42(32-45)44-35-48(60(10,11)12)38-50(36-44)62(56-27-21-19-24-51(56)40-22-16-15-17-23-40)49-28-29-53-52-25-18-20-26-54(52)61(13,14)55(53)39-49/h18-21,24-40H,15-17,22-23H2,1-14H3
InChIKeyPJJFXDOGBLGRLK-UHFFFAOYSA-N
MW820.26 g/mol
LogP18.03
Rot. Bonds6

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

N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 160916569) has the molecular formula C61H73N and a molecular weight of 820.26 g/mol. Its IUPAC name is N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID160916569
Molecular FormulaC61H73N
Molecular Weight820.26 g/mol
Exact Mass819.57
IUPAC NameN-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C3CCCCC3)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C61H73N/c1-57(2,3)45-31-41(43-33-46(58(4,5)6)37-47(34-43)59(7,8)9)30-42(32-45)44-35-48(60(10,11)12)38-50(36-44)62(56-27-21-19-24-51(56)40-22-16-15-17-23-40)49-28-29-53-52-25-18-20-26-54(52)61(13,14)55(53)39-49/h18-21,24-40H,15-17,22-23H2,1-14H3
InChIKeyPJJFXDOGBLGRLK-UHFFFAOYSA-N
XLogP18.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.26
LogP ≤ 518.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466796
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-[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-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-[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-[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-[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-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160612005
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
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-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 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) is N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C3CCCCC3)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is PJJFXDOGBLGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H73N/c1-57(2,3)45-31-41(43-33-46(58(4,5)6)37-47(34-43)59(7,8)9)30-42(32-45)44-35-48(60(10,11)12)38-50(36-44)62(56-27-21-19-24-51(56)40-22-16-15-17-23-40)49-28-29-53-52-25-18-20-26-54(52)61(13,14)55(53)39-49/h18-21,24-40H,15-17,22-23H2,1-14H3.
What are the key properties of N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 820.26 g/mol, XLogP of 18.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 160916569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).