N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine

C46H33N — CID 168789618

IUPACN-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C46H33N/c1-4-16-34(17-5-1)39-24-14-25-40(32-39)47(41-31-30-35-18-10-11-23-38(35)33-41)45-29-15-28-43(37-21-8-3-9-22-37)46(45)44-27-13-12-26-42(44)36-19-6-2-7-20-36/h1-33H
InChIKeyYXXLCHFZGXFXKA-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine

N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 168789618) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID168789618
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C46H33N/c1-4-16-34(17-5-1)39-24-14-25-40(32-39)47(41-31-30-35-18-10-11-23-38(35)33-41)45-29-15-28-43(37-21-8-3-9-22-37)46(45)44-27-13-12-26-42(44)36-19-6-2-7-20-36/h1-33H
InChIKeyYXXLCHFZGXFXKA-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-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168789545
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502244
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789132
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
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-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168789388
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501164
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine (CID 168789618) is N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is YXXLCHFZGXFXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-16-34(17-5-1)39-24-14-25-40(32-39)47(41-31-30-35-18-10-11-23-38(35)33-41)45-29-15-28-43(37-21-8-3-9-22-37)46(45)44-27-13-12-26-42(44)36-19-6-2-7-20-36/h1-33H.
What are the key properties of N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine?
N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine 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-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 168789618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).