5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline

C50H35N — CID 167235718

IUPAC5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4ccc5ccccc5c4)ccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C50H35N/c1-3-14-36(15-4-1)41-22-11-24-45(33-41)51(46-25-12-23-44(34-46)48-27-13-21-38-19-9-10-26-47(38)48)50-35-43(30-31-49(50)39-17-5-2-6-18-39)42-29-28-37-16-7-8-20-40(37)32-42/h1-35H
InChIKeyMCKFKUQGIHSLIX-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline

5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 167235718) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
PubChem CID167235718
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4ccc5ccccc5c4)ccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C50H35N/c1-3-14-36(15-4-1)41-22-11-24-45(33-41)51(46-25-12-23-44(34-46)48-27-13-21-38-19-9-10-26-47(38)48)50-35-43(30-31-49(50)39-17-5-2-6-18-39)42-29-28-37-16-7-8-20-40(37)32-42/h1-35H
InChIKeyMCKFKUQGIHSLIX-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234570
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline (CID 167235718) is 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4ccc5ccccc5c4)ccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is MCKFKUQGIHSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-3-14-36(15-4-1)41-22-11-24-45(33-41)51(46-25-12-23-44(34-46)48-27-13-21-38-19-9-10-26-47(38)48)50-35-43(30-31-49(50)39-17-5-2-6-18-39)42-29-28-37-16-7-8-20-40(37)32-42/h1-35H.
What are the key properties of 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline?
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167235718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).