4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine

C56H41N3 — CID 118632252

IUPAC4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine
SMILESNc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cccc(-c3cccc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc34)c12
InChIInChI=1S/C56H41N3/c57-55-38-37-50(41-29-34-49(35-30-41)59(46-20-9-3-10-21-46)47-22-11-4-12-23-47)53-25-14-26-54(56(53)55)52-24-13-15-43-39-42(31-36-51(43)52)40-27-32-48(33-28-40)58(44-16-5-1-6-17-44)45-18-7-2-8-19-45/h1-39H,57H2
InChIKeyCZFXFCUWZYSFJU-UHFFFAOYSA-N
MW755.97 g/mol
LogP15.52
Rot. Bonds9

About 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine

4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine (PubChem CID 118632252) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine
PubChem CID118632252
Molecular FormulaC56H41N3
Molecular Weight755.97 g/mol
Exact Mass755.33
IUPAC Name4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine
SMILESNc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cccc(-c3cccc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc34)c12
InChIInChI=1S/C56H41N3/c57-55-38-37-50(41-29-34-49(35-30-41)59(46-20-9-3-10-21-46)47-22-11-4-12-23-47)53-25-14-26-54(56(53)55)52-24-13-15-43-39-42(31-36-51(43)52)40-27-32-48(33-28-40)58(44-16-5-1-6-17-44)45-18-7-2-8-19-45/h1-39H,57H2
InChIKeyCZFXFCUWZYSFJU-UHFFFAOYSA-N
XLogP15.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 515.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine
CID 138655658
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
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
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine?
The IUPAC name of 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine (CID 118632252) is 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine.
What is the SMILES notation for 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine?
The canonical SMILES for 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine is Nc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cccc(-c3cccc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc34)c12.
What is the InChIKey of 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine?
The InChIKey is CZFXFCUWZYSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c57-55-38-37-50(41-29-34-49(35-30-41)59(46-20-9-3-10-21-46)47-22-11-4-12-23-47)53-25-14-26-54(56(53)55)52-24-13-15-43-39-42(31-36-51(43)52)40-27-32-48(33-28-40)58(44-16-5-1-6-17-44)45-18-7-2-8-19-45/h1-39H,57H2.
What are the key properties of 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine?
4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine has a molecular weight of 755.97 g/mol, XLogP of 15.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 118632252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).