N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine

C54H37N — CID 176588016

IUPACN,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(N(c4ccc5ccccc5c4)c4ccc5c(-c6ccc7ccccc7c6)cccc5c4)c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-12-38(13-4-1)42-22-24-43(25-23-42)49-33-48(39-14-5-2-6-15-39)36-52(37-49)55(50-29-28-41-17-8-10-19-45(41)34-50)51-30-31-54-46(35-51)20-11-21-53(54)47-27-26-40-16-7-9-18-44(40)32-47/h1-37H
InChIKeyMMXFZUSZFZXKRO-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine

N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 176588016) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID176588016
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(N(c4ccc5ccccc5c4)c4ccc5c(-c6ccc7ccccc7c6)cccc5c4)c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-12-38(13-4-1)42-22-24-43(25-23-42)49-33-48(39-14-5-2-6-15-39)36-52(37-49)55(50-29-28-41-17-8-10-19-45(41)34-50)51-30-31-54-46(35-51)20-11-21-53(54)47-27-26-40-16-7-9-18-44(40)32-47/h1-37H
InChIKeyMMXFZUSZFZXKRO-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 176588198
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
5-naphthalen-1-yl-3-N-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 146663317
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine
CID 176588058
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903

Frequently Asked Questions

What is the IUPAC name of N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine (CID 176588016) is N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(N(c4ccc5ccccc5c4)c4ccc5c(-c6ccc7ccccc7c6)cccc5c4)c3)cc2)cc1.
What is the InChIKey of N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is MMXFZUSZFZXKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-12-38(13-4-1)42-22-24-43(25-23-42)49-33-48(39-14-5-2-6-15-39)36-52(37-49)55(50-29-28-41-17-8-10-19-45(41)34-50)51-30-31-54-46(35-51)20-11-21-53(54)47-27-26-40-16-7-9-18-44(40)32-47/h1-37H.
What are the key properties of N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine?
N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 176588016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).