N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine

C50H44N2 — CID 118122960

IUPACN-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
SMILESCCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H44N2/c1-5-50(3,4)41-26-34-45(35-27-41)52(49-19-11-15-40-13-7-9-17-47(40)49)44-32-24-38(25-33-44)37-22-30-43(31-23-37)51(42-28-20-36(2)21-29-42)48-18-10-14-39-12-6-8-16-46(39)48/h6-35H,5H2,1-4H3
InChIKeyPGPZQVATODXAEV-UHFFFAOYSA-N
MW672.92 g/mol
LogP14.60
Rot. Bonds9

About N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine

N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 118122960) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
PubChem CID118122960
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC NameN-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
SMILESCCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H44N2/c1-5-50(3,4)41-26-34-45(35-27-41)52(49-19-11-15-40-13-7-9-17-47(40)49)44-32-24-38(25-33-44)37-22-30-43(31-23-37)51(42-28-20-36(2)21-29-42)48-18-10-14-39-12-6-8-16-46(39)48/h6-35H,5H2,1-4H3
InChIKeyPGPZQVATODXAEV-UHFFFAOYSA-N
XLogP14.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
CID 118074809
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
CID 89068086
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine
CID 123246772
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine (CID 118122960) is N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine is CCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine?
The InChIKey is PGPZQVATODXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-5-50(3,4)41-26-34-45(35-27-41)52(49-19-11-15-40-13-7-9-17-47(40)49)44-32-24-38(25-33-44)37-22-30-43(31-23-37)51(42-28-20-36(2)21-29-42)48-18-10-14-39-12-6-8-16-46(39)48/h6-35H,5H2,1-4H3.
What are the key properties of N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine?
N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 672.92 g/mol, XLogP of 14.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 118122960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).