N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline

C46H33N — CID 167323811

IUPACN-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H33N/c1-4-14-34(15-5-1)39-22-12-24-44(30-39)47(45-25-13-23-40(31-45)41-27-26-37-20-10-11-21-38(37)28-41)46-32-42(35-16-6-2-7-17-35)29-43(33-46)36-18-8-3-9-19-36/h1-33H
InChIKeyCQJCGHLMIVBUJC-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.98
Rot. Bonds7

About N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline

N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline (PubChem CID 167323811) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
PubChem CID167323811
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC NameN-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C46H33N/c1-4-14-34(15-5-1)39-22-12-24-44(30-39)47(45-25-13-23-40(31-45)41-27-26-37-20-10-11-21-38(37)28-41)46-32-42(35-16-6-2-7-17-35)29-43(33-46)36-18-8-3-9-19-36/h1-33H
InChIKeyCQJCGHLMIVBUJC-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-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,5-diphenylphenyl)phenyl]aniline
CID 171452808
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 171451860
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]aniline
CID 171451196
2,3,5,6-tetradeuterio-N,N-bis(3-naphthalen-2-ylphenyl)-4-phenylaniline
CID 171452131

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline (CID 167323811) is N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline?
The InChIKey is CQJCGHLMIVBUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-4-14-34(15-5-1)39-22-12-24-44(30-39)47(45-25-13-23-40(31-45)41-27-26-37-20-10-11-21-38(37)28-41)46-32-42(35-16-6-2-7-17-35)29-43(33-46)36-18-8-3-9-19-36/h1-33H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline?
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(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-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167323811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).