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3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

C50H36N2 — CID 176588172

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc5ccccc5cc4-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C50H36N2/c1-4-15-37(16-5-1)39-29-31-46(32-30-39)51(44-21-6-2-7-22-44)47-25-14-26-48(36-47)52(45-23-8-3-9-24-45)50-35-42-20-13-12-19-41(42)34-49(50)43-28-27-38-17-10-11-18-40(38)33-43/h1-36H
InChIKeyRDYYGHPMCBRFNQ-UHFFFAOYSA-N
MW664.85 g/mol
LogP14.27
Rot. Bonds8

About 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 176588172) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID176588172
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc5ccccc5cc4-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C50H36N2/c1-4-15-37(16-5-1)39-29-31-46(32-30-39)51(44-21-6-2-7-22-44)47-25-14-26-48(36-47)52(45-23-8-3-9-24-45)50-35-42-20-13-12-19-41(42)34-49(50)43-28-27-38-17-10-11-18-40(38)33-43/h1-36H
InChIKeyRDYYGHPMCBRFNQ-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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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 176588172) is 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc5ccccc5cc4-c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is RDYYGHPMCBRFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-4-15-37(16-5-1)39-29-31-46(32-30-39)51(44-21-6-2-7-22-44)47-25-14-26-48(36-47)52(45-23-8-3-9-24-45)50-35-42-20-13-12-19-41(42)34-49(50)43-28-27-38-17-10-11-18-40(38)33-43/h1-36H.
What are the key properties of 3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-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-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 176588172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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