N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline

C46H33N — CID 155123201

IUPACN-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H33N/c1-4-13-34(14-5-1)36-23-28-41(29-24-36)47(42-30-25-39(26-31-42)44-22-12-20-37-19-10-11-21-43(37)44)46-32-27-40(35-15-6-2-7-16-35)33-45(46)38-17-8-3-9-18-38/h1-33H
InChIKeyAMKZWHPSXUHVHF-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 155123201) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID155123201
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H33N/c1-4-13-34(14-5-1)36-23-28-41(29-24-36)47(42-30-25-39(26-31-42)44-22-12-20-37-19-10-11-21-43(37)44)46-32-27-40(35-15-6-2-7-16-35)33-45(46)38-17-8-3-9-18-38/h1-33H
InChIKeyAMKZWHPSXUHVHF-UHFFFAOYSA-N
XLogP12.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526923
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 167265283
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline (CID 155123201) is N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AMKZWHPSXUHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-13-34(14-5-1)36-23-28-41(29-24-36)47(42-30-25-39(26-31-42)44-22-12-20-37-19-10-11-21-43(37)44)46-32-27-40(35-15-6-2-7-16-35)33-45(46)38-17-8-3-9-18-38/h1-33H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 599.78 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 155123201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).