N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine

C59H59N — CID 170217313

IUPACN-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccccc2-c2cccc3c2C(C)(C)c2ccccc2-3)cc(C(C)(C)C)c1
InChIInChI=1S/C59H59N/c1-56(2,3)40-35-39(36-41(37-40)57(4,5)6)43-21-12-16-29-53(43)60(42-31-32-46-44-22-11-15-28-51(44)59(52(46)38-42)33-18-9-19-34-59)54-30-17-13-24-47(54)49-26-20-25-48-45-23-10-14-27-50(45)58(7,8)55(48)49/h10-17,20-32,35-38H,9,18-19,33-34H2,1-8H3
InChIKeyUANAXOGBMDYKNU-UHFFFAOYSA-N
MW782.13 g/mol
LogP16.62
Rot. Bonds5

About N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine

N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170217313) has the molecular formula C59H59N and a molecular weight of 782.13 g/mol. Its IUPAC name is N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
PubChem CID170217313
Molecular FormulaC59H59N
Molecular Weight782.13 g/mol
Exact Mass781.46
IUPAC NameN-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCC(C)(C)c1cc(-c2ccccc2N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccccc2-c2cccc3c2C(C)(C)c2ccccc2-3)cc(C(C)(C)C)c1
InChIInChI=1S/C59H59N/c1-56(2,3)40-35-39(36-41(37-40)57(4,5)6)43-21-12-16-29-53(43)60(42-31-32-46-44-22-11-15-28-51(44)59(52(46)38-42)33-18-9-19-34-59)54-30-17-13-24-47(54)49-26-20-25-48-45-23-10-14-27-50(45)58(7,8)55(48)49/h10-17,20-32,35-38H,9,18-19,33-34H2,1-8H3
InChIKeyUANAXOGBMDYKNU-UHFFFAOYSA-N
XLogP16.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.13
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(3,4-diphenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217297
N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217348
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217349
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217335
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215483
N-(4-tert-butylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218153
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217040
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217046
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170144049

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170217313) is N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is CC(C)(C)c1cc(-c2ccccc2N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccccc2-c2cccc3c2C(C)(C)c2ccccc2-3)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The InChIKey is UANAXOGBMDYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H59N/c1-56(2,3)40-35-39(36-41(37-40)57(4,5)6)43-21-12-16-29-53(43)60(42-31-32-46-44-22-11-15-28-51(44)59(52(46)38-42)33-18-9-19-34-59)54-30-17-13-24-47(54)49-26-20-25-48-45-23-10-14-27-50(45)58(7,8)55(48)49/h10-17,20-32,35-38H,9,18-19,33-34H2,1-8H3.
What are the key properties of N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 782.13 g/mol, XLogP of 16.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).