N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline

C64H43N — CID 172527346

IUPACN-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H43N/c1-3-14-44(15-4-1)45-26-28-46(29-27-45)47-30-37-52(38-31-47)65(54-41-34-50(35-42-54)57-43-36-48-16-7-8-19-55(48)63(57)51-17-5-2-6-18-51)53-39-32-49(33-40-53)56-24-13-25-62-60-21-10-9-20-58(60)59-22-11-12-23-61(59)64(56)62/h1-43H
InChIKeyUIIOZOCAFKBBSW-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

About N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline (PubChem CID 172527346) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
PubChem CID172527346
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H43N/c1-3-14-44(15-4-1)45-26-28-46(29-27-45)47-30-37-52(38-31-47)65(54-41-34-50(35-42-54)57-43-36-48-16-7-8-19-55(48)63(57)51-17-5-2-6-18-51)53-39-32-49(33-40-53)56-24-13-25-62-60-21-10-9-20-58(60)59-22-11-12-23-61(59)64(56)62/h1-43H
InChIKeyUIIOZOCAFKBBSW-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 518.10
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

4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
CID 167265707
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526894
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline?
The IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline (CID 172527346) is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline?
The InChIKey is UIIOZOCAFKBBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-3-14-44(15-4-1)45-26-28-46(29-27-45)47-30-37-52(38-31-47)65(54-41-34-50(35-42-54)57-43-36-48-16-7-8-19-55(48)63(57)51-17-5-2-6-18-51)53-39-32-49(33-40-53)56-24-13-25-62-60-21-10-9-20-58(60)59-22-11-12-23-61(59)64(56)62/h1-43H.
What are the key properties of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline?
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline is sourced from PubChem (CID 172527346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).