N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine

C58H45N — CID 59308138

IUPACN-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
SMILESCC(C)(C)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C58H45N/c1-58(2,3)45-31-33-46(34-32-45)59(47-28-18-27-44(37-47)40-19-8-4-9-20-40)48-35-36-51-54(38-48)49-29-16-17-30-50(49)56-53(42-23-12-6-13-24-42)39-52(41-21-10-5-11-22-41)55(57(51)56)43-25-14-7-15-26-43/h4-39H,1-3H3
InChIKeyWFDCXSAOPGYDAP-UHFFFAOYSA-N
MW756.01 g/mol
LogP16.58
Rot. Bonds7

About N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine

N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine (PubChem CID 59308138) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
PubChem CID59308138
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
SMILESCC(C)(C)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C58H45N/c1-58(2,3)45-31-33-46(34-32-45)59(47-28-18-27-44(37-47)40-19-8-4-9-20-40)48-35-36-51-54(38-48)49-29-16-17-30-50(49)56-53(42-23-12-6-13-24-42)39-52(41-21-10-5-11-22-41)55(57(51)56)43-25-14-7-15-26-43/h4-39H,1-3H3
InChIKeyWFDCXSAOPGYDAP-UHFFFAOYSA-N
XLogP16.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 516.58
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-(3-phenylphenyl)triphenylen-2-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-5,7,8-triphenyltriphenylen-2-amine
CID 89083639
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
CID 59307848
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine (CID 59308138) is N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine is CC(C)(C)c1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine?
The InChIKey is WFDCXSAOPGYDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-58(2,3)45-31-33-46(34-32-45)59(47-28-18-27-44(37-47)40-19-8-4-9-20-40)48-35-36-51-54(38-48)49-29-16-17-30-50(49)56-53(42-23-12-6-13-24-42)39-52(41-21-10-5-11-22-41)55(57(51)56)43-25-14-7-15-26-43/h4-39H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine?
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine has a molecular weight of 756.01 g/mol, XLogP of 16.58, 7 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-(3-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 59308138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).