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

C52H35N — CID 167265707

IUPACN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C52H35N/c1-3-16-36(17-4-1)41-21-13-14-28-49(41)53(50-29-15-27-48-46-24-10-9-23-44(46)45-25-11-12-26-47(45)52(48)50)40-33-30-38(31-34-40)43-35-32-37-18-7-8-22-42(37)51(43)39-19-5-2-6-20-39/h1-35H
InChIKeyGIJKTRIVZCGXSJ-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

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

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine (PubChem CID 167265707) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine.

Molecular Properties

Compound NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
PubChem CID167265707
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C52H35N/c1-3-16-36(17-4-1)41-21-13-14-28-49(41)53(50-29-15-27-48-46-24-10-9-23-44(46)45-25-11-12-26-47(45)52(48)50)40-33-30-38(31-34-40)43-35-32-37-18-7-8-22-42(37)51(43)39-19-5-2-6-20-39/h1-35H
InChIKeyGIJKTRIVZCGXSJ-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
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-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)triphenylen-1-amine
CID 167265700
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
CID 172527346
N-(4-phenanthren-9-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527338
N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167266019
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine?
The IUPAC name of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine (CID 167265707) is N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine.
What is the SMILES notation for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine?
The canonical SMILES for N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine?
The InChIKey is GIJKTRIVZCGXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-3-16-36(17-4-1)41-21-13-14-28-49(41)53(50-29-15-27-48-46-24-10-9-23-44(46)45-25-11-12-26-47(45)52(48)50)40-33-30-38(31-34-40)43-35-32-37-18-7-8-22-42(37)51(43)39-19-5-2-6-20-39/h1-35H.
What are the key properties of N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine?
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 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]-N-(2-phenylphenyl)triphenylen-1-amine is sourced from PubChem (CID 167265707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).