N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine

C56H37N — CID 176587587

IUPACN-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5cccc(-c6cccc7ccccc67)c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C56H37N/c1-2-14-38(15-3-1)42-20-10-21-44(36-42)57(45-34-35-53-51-25-7-6-23-49(51)50-24-8-9-26-52(50)55(53)37-45)43-32-30-40(31-33-43)47-27-12-18-41-19-13-29-54(56(41)47)48-28-11-17-39-16-4-5-22-46(39)48/h1-37H
InChIKeyTZEJPYKRBBVNGI-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine

N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine (PubChem CID 176587587) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
PubChem CID176587587
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5cccc(-c6cccc7ccccc67)c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C56H37N/c1-2-14-38(15-3-1)42-20-10-21-44(36-42)57(45-34-35-53-51-25-7-6-23-49(51)50-24-8-9-26-52(50)55(53)37-45)43-32-30-40(31-33-43)47-27-12-18-41-19-13-29-54(56(41)47)48-28-11-17-39-16-4-5-22-46(39)48/h1-37H
InChIKeyTZEJPYKRBBVNGI-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

5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167182328
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine (CID 176587587) is N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5cccc(-c6cccc7ccccc67)c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The InChIKey is TZEJPYKRBBVNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-14-38(15-3-1)42-20-10-21-44(36-42)57(45-34-35-53-51-25-7-6-23-49(51)50-24-8-9-26-52(50)55(53)37-45)43-32-30-40(31-33-43)47-27-12-18-41-19-13-29-54(56(41)47)48-28-11-17-39-16-4-5-22-46(39)48/h1-37H.
What are the key properties of N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-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-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 176587587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).