N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline

C46H33N — CID 155123170

IUPACN-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H33N/c1-4-13-34(14-5-1)39-19-12-20-40(31-39)42-27-30-46(45(33-42)37-16-6-2-7-17-37)47(43-21-8-3-9-22-43)44-28-25-36(26-29-44)41-24-23-35-15-10-11-18-38(35)32-41/h1-33H
InChIKeyBEAFOYRGUNEGFG-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline (PubChem CID 155123170) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
PubChem CID155123170
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H33N/c1-4-13-34(14-5-1)39-19-12-20-40(31-39)42-27-30-46(45(33-42)37-16-6-2-7-17-37)47(43-21-8-3-9-22-43)44-28-25-36(26-29-44)41-24-23-35-15-10-11-18-38(35)32-41/h1-33H
InChIKeyBEAFOYRGUNEGFG-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-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155122949
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline (CID 155123170) is N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)c(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline?
The InChIKey is BEAFOYRGUNEGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-13-34(14-5-1)39-19-12-20-40(31-39)42-27-30-46(45(33-42)37-16-6-2-7-17-37)47(43-21-8-3-9-22-43)44-28-25-36(26-29-44)41-24-23-35-15-10-11-18-38(35)32-41/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-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-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 155123170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).