3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine

C50H36N2 — CID 176588141

IUPAC3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc5ccccc5cc4-c4cccc5ccccc45)c3)c2)cc1
InChIInChI=1S/C50H36N2/c1-4-17-37(18-5-1)39-23-14-28-44(33-39)51(42-24-6-2-7-25-42)45-29-16-30-46(36-45)52(43-26-8-3-9-27-43)50-35-41-21-11-10-20-40(41)34-49(50)48-32-15-22-38-19-12-13-31-47(38)48/h1-36H
InChIKeyAWEAZXNYSNFCFQ-UHFFFAOYSA-N
MW664.85 g/mol
LogP14.27
Rot. Bonds8

About 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine

3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine (PubChem CID 176588141) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine
PubChem CID176588141
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc5ccccc5cc4-c4cccc5ccccc45)c3)c2)cc1
InChIInChI=1S/C50H36N2/c1-4-17-37(18-5-1)39-23-14-28-44(33-39)51(42-24-6-2-7-25-42)45-29-16-30-46(36-45)52(43-26-8-3-9-27-43)50-35-41-21-11-10-20-40(41)34-49(50)48-32-15-22-38-19-12-13-31-47(38)48/h1-36H
InChIKeyAWEAZXNYSNFCFQ-UHFFFAOYSA-N
XLogP14.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine (CID 176588141) is 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc5ccccc5cc4-c4cccc5ccccc45)c3)c2)cc1.
What is the InChIKey of 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine?
The InChIKey is AWEAZXNYSNFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-4-17-37(18-5-1)39-23-14-28-44(33-39)51(42-24-6-2-7-25-42)45-29-16-30-46(36-45)52(43-26-8-3-9-27-43)50-35-41-21-11-10-20-40(41)34-49(50)48-32-15-22-38-19-12-13-31-47(38)48/h1-36H.
What are the key properties of 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine?
3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine has a molecular weight of 664.85 g/mol, XLogP of 14.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-naphthalen-1-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 176588141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).