N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine

C56H43N — CID 59308259

IUPACN-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c32)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H43N/c1-56(2,3)42-30-32-43(33-31-42)57(52-29-17-25-38-22-13-14-26-45(38)52)44-34-35-48-51(36-44)46-27-15-16-28-47(46)55-53(41-23-11-6-12-24-41)49(39-18-7-4-8-19-39)37-50(54(48)55)40-20-9-5-10-21-40/h4-37H,1-3H3
InChIKeyVCGVRUYONZNTIK-UHFFFAOYSA-N
MW729.97 g/mol
LogP16.07
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine

N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine (PubChem CID 59308259) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
PubChem CID59308259
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c32)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H43N/c1-56(2,3)42-30-32-43(33-31-42)57(52-29-17-25-38-22-13-14-26-45(38)52)44-34-35-48-51(36-44)46-27-15-16-28-47(46)55-53(41-23-11-6-12-24-41)49(39-18-7-4-8-19-39)37-50(54(48)55)40-20-9-5-10-21-40/h4-37H,1-3H3
InChIKeyVCGVRUYONZNTIK-UHFFFAOYSA-N
XLogP16.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 516.07
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)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-5,7,8-triphenyltriphenylen-2-amine
CID 89083639
4-[phenanthren-9-yl-(5,6,8-triphenyltriphenylen-2-yl)amino]benzenethiol
CID 89072735
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 161446065
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329
N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine (CID 59308259) is N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c32)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine?
The InChIKey is VCGVRUYONZNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-56(2,3)42-30-32-43(33-31-42)57(52-29-17-25-38-22-13-14-26-45(38)52)44-34-35-48-51(36-44)46-27-15-16-28-47(46)55-53(41-23-11-6-12-24-41)49(39-18-7-4-8-19-39)37-50(54(48)55)40-20-9-5-10-21-40/h4-37H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine?
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine has a molecular weight of 729.97 g/mol, XLogP of 16.07, 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)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).