5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline

C44H31N — CID 167236233

IUPAC5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-3-13-34(14-4-1)43-30-27-36(42-24-12-18-33-16-8-10-22-40(33)42)31-44(43)45(37-19-5-2-6-20-37)38-28-25-35(26-29-38)41-23-11-17-32-15-7-9-21-39(32)41/h1-31H
InChIKeyBRVUMDASMDMKPV-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline

5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline (PubChem CID 167236233) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
PubChem CID167236233
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-3-13-34(14-4-1)43-30-27-36(42-24-12-18-33-16-8-10-22-40(33)42)31-44(43)45(37-19-5-2-6-20-37)38-28-25-35(26-29-38)41-23-11-17-32-15-7-9-21-39(32)41/h1-31H
InChIKeyBRVUMDASMDMKPV-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.46
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
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167234610
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 167233788

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline?
The IUPAC name of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline (CID 167236233) is 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline.
What is the SMILES notation for 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline?
The canonical SMILES for 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline?
The InChIKey is BRVUMDASMDMKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-3-13-34(14-4-1)43-30-27-36(42-24-12-18-33-16-8-10-22-40(33)42)31-44(43)45(37-19-5-2-6-20-37)38-28-25-35(26-29-38)41-23-11-17-32-15-7-9-21-39(32)41/h1-31H.
What are the key properties of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline?
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline has a molecular weight of 573.74 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline is sourced from PubChem (CID 167236233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).