2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline

C64H43N — CID 167234798

IUPAC2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4cccc5ccccc45)ccc3-c3cccc4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C64H43N/c1-2-17-50-42-53(30-29-44(50)13-1)52-22-9-21-51(41-52)45-31-36-55(37-32-45)65(56-38-33-49(34-39-56)59-26-10-18-46-14-3-6-23-57(46)59)64-43-54(61-27-11-19-47-15-4-7-24-58(47)61)35-40-63(64)62-28-12-20-48-16-5-8-25-60(48)62/h1-43H
InChIKeyFQYCNNQEMVKPJY-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

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

2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167234798) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167234798
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4cccc5ccccc45)ccc3-c3cccc4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C64H43N/c1-2-17-50-42-53(30-29-44(50)13-1)52-22-9-21-51(41-52)45-31-36-55(37-32-45)65(56-38-33-49(34-39-56)59-26-10-18-46-14-3-6-23-57(46)59)64-43-54(61-27-11-19-47-15-4-7-24-58(47)61)35-40-63(64)62-28-12-20-48-16-5-8-25-60(48)62/h1-43H
InChIKeyFQYCNNQEMVKPJY-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234570
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 167233788
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807

Frequently Asked Questions

What is the IUPAC name of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline (CID 167234798) is 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc(-c4cccc5ccccc45)ccc3-c3cccc4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is FQYCNNQEMVKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-2-17-50-42-53(30-29-44(50)13-1)52-22-9-21-51(41-52)45-31-36-55(37-32-45)65(56-38-33-49(34-39-56)59-26-10-18-46-14-3-6-23-57(46)59)64-43-54(61-27-11-19-47-15-4-7-24-58(47)61)35-40-63(64)62-28-12-20-48-16-5-8-25-60(48)62/h1-43H.
What are the key properties of 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline?
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167234798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).