N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine

C56H37N — CID 167272668

IUPACN-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c5ccccc5c5ccccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C56H37N/c1-2-15-41-36-44(30-29-38(41)13-1)43-18-9-17-42(35-43)39-31-33-46(34-32-39)57(47-20-10-19-45(37-47)49-26-11-16-40-14-3-4-21-48(40)49)55-28-12-27-54-52-23-6-5-22-50(52)51-24-7-8-25-53(51)56(54)55/h1-37H
InChIKeyZWXKGXIPARCBGK-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine

N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine (PubChem CID 167272668) 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-2-ylphenyl)phenyl]triphenylen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine
PubChem CID167272668
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c5ccccc5c5ccccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C56H37N/c1-2-15-41-36-44(30-29-38(41)13-1)43-18-9-17-42(35-43)39-31-33-46(34-32-39)57(47-20-10-19-45(37-47)49-26-11-16-40-14-3-4-21-48(40)49)55-28-12-27-54-52-23-6-5-22-50(52)51-24-7-8-25-53(51)56(54)55/h1-37H
InChIKeyZWXKGXIPARCBGK-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-1-ylphenyl)phenyl]triphenylen-1-amine
CID 167272465
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 153357571
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737637
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine (CID 167272668) is N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine is c1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c5ccccc5c5ccccc5c34)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine?
The InChIKey is ZWXKGXIPARCBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-15-41-36-44(30-29-38(41)13-1)43-18-9-17-42(35-43)39-31-33-46(34-32-39)57(47-20-10-19-45(37-47)49-26-11-16-40-14-3-4-21-48(40)49)55-28-12-27-54-52-23-6-5-22-50(52)51-24-7-8-25-53(51)56(54)55/h1-37H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]triphenylen-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-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-2-ylphenyl)phenyl]triphenylen-1-amine is sourced from PubChem (CID 167272668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).