N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine

C56H37N — CID 167272465

IUPACN-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c5ccccc5c5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H37N/c1-3-22-46-39(14-1)16-11-28-48(46)42-19-9-18-41(36-42)38-32-34-44(35-33-38)57(45-21-10-20-43(37-45)49-29-12-17-40-15-2-4-23-47(40)49)55-31-13-30-54-52-25-6-5-24-50(52)51-26-7-8-27-53(51)56(54)55/h1-37H
InChIKeyIECKZJOBHZHAFC-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine

N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine (PubChem CID 167272465) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
PubChem CID167272465
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c5ccccc5c5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H37N/c1-3-22-46-39(14-1)16-11-28-48(46)42-19-9-18-41(36-42)38-32-34-44(35-33-38)57(45-21-10-20-43(37-45)49-29-12-17-40-15-2-4-23-47(40)49)55-31-13-30-54-52-25-6-5-24-50(52)51-26-7-8-27-53(51)56(54)55/h1-37H
InChIKeyIECKZJOBHZHAFC-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine
CID 167272668
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine (CID 167272465) is N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine is c1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c5ccccc5c5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine?
The InChIKey is IECKZJOBHZHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-22-46-39(14-1)16-11-28-48(46)42-19-9-18-41(36-42)38-32-34-44(35-33-38)57(45-21-10-20-43(37-45)49-29-12-17-40-15-2-4-23-47(40)49)55-31-13-30-54-52-25-6-5-24-50(52)51-26-7-8-27-53(51)56(54)55/h1-37H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine is sourced from PubChem (CID 167272465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).