N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine

C64H53N — CID 59307655

IUPACN-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C64H53N/c1-63(2,3)46-30-32-47(33-31-46)65(49-34-36-52-51-27-16-17-29-58(51)64(59(52)41-49)38-18-7-19-39-64)48-35-37-54-57(40-48)50-26-14-15-28-53(50)61-56(44-22-10-5-11-23-44)42-55(43-20-8-4-9-21-43)60(62(54)61)45-24-12-6-13-25-45/h4-6,8-17,20-37,40-42H,7,18-19,38-39H2,1-3H3
InChIKeyOHYWEALNGQTRAI-UHFFFAOYSA-N
MW836.14 g/mol
LogP18.15
Rot. Bonds6

About N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine

N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine (PubChem CID 59307655) has the molecular formula C64H53N and a molecular weight of 836.14 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
PubChem CID59307655
Molecular FormulaC64H53N
Molecular Weight836.14 g/mol
Exact Mass835.42
IUPAC NameN-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C64H53N/c1-63(2,3)46-30-32-47(33-31-46)65(49-34-36-52-51-27-16-17-29-58(51)64(59(52)41-49)38-18-7-19-39-64)48-35-37-54-57(40-48)50-26-14-15-28-53(50)61-56(44-22-10-5-11-23-44)42-55(43-20-8-4-9-21-43)60(62(54)61)45-24-12-6-13-25-45/h4-6,8-17,20-37,40-42H,7,18-19,38-39H2,1-3H3
InChIKeyOHYWEALNGQTRAI-UHFFFAOYSA-N
XLogP18.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.14
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine with MolForge

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Related Compounds

6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
CID 89083927
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine
CID 162244011
6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
CID 160617810
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
3'-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729094
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-5,7,8-triphenyltriphenylen-2-amine
CID 89083639
N-(4-tert-butylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218153
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-9,9'-spirobi[fluorene]-2-amine
CID 157324927

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine (CID 59307655) is N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine?
The InChIKey is OHYWEALNGQTRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H53N/c1-63(2,3)46-30-32-47(33-31-46)65(49-34-36-52-51-27-16-17-29-58(51)64(59(52)41-49)38-18-7-19-39-64)48-35-37-54-57(40-48)50-26-14-15-28-53(50)61-56(44-22-10-5-11-23-44)42-55(43-20-8-4-9-21-43)60(62(54)61)45-24-12-6-13-25-45/h4-6,8-17,20-37,40-42H,7,18-19,38-39H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine?
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine has a molecular weight of 836.14 g/mol, XLogP of 18.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine is sourced from PubChem (CID 59307655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).