5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C52H37N — CID 167236259

IUPAC5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C52H37N/c1-4-15-38(16-5-1)43-23-12-24-44(35-43)40-29-32-47(33-30-40)53(48-26-13-25-45(36-48)39-17-6-2-7-18-39)52-37-46(31-34-51(52)42-19-8-3-9-20-42)50-28-14-22-41-21-10-11-27-49(41)50/h1-37H
InChIKeyAAHBPJHBSLHALP-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167236259) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167236259
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC Name5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C52H37N/c1-4-15-38(16-5-1)43-23-12-24-44(35-43)40-29-32-47(33-30-40)53(48-26-13-25-45(36-48)39-17-6-2-7-18-39)52-37-46(31-34-51(52)42-19-8-3-9-20-42)50-28-14-22-41-21-10-11-27-49(41)50/h1-37H
InChIKeyAAHBPJHBSLHALP-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
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-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167236259) is 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is AAHBPJHBSLHALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-15-38(16-5-1)43-23-12-24-44(35-43)40-29-32-47(33-30-40)53(48-26-13-25-45(36-48)39-17-6-2-7-18-39)52-37-46(31-34-51(52)42-19-8-3-9-20-42)50-28-14-22-41-21-10-11-27-49(41)50/h1-37H.
What are the key properties of 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 675.88 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167236259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).