3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C56H41N3 — CID 69120813

IUPAC3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C56H41N3/c1-5-23-46(24-6-1)57(47-25-7-2-8-26-47)51-39-45(40-52(41-51)59(49-29-11-4-12-30-49)56-34-18-22-44-20-14-16-32-54(44)56)42-35-37-50(38-36-42)58(48-27-9-3-10-28-48)55-33-17-21-43-19-13-15-31-53(43)55/h1-41H
InChIKeyBGNCXQAFFJZAET-UHFFFAOYSA-N
MW755.97 g/mol
LogP16.07
Rot. Bonds10

About 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 69120813) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID69120813
Molecular FormulaC56H41N3
Molecular Weight755.97 g/mol
Exact Mass755.33
IUPAC Name3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C56H41N3/c1-5-23-46(24-6-1)57(47-25-7-2-8-26-47)51-39-45(40-52(41-51)59(49-29-11-4-12-30-49)56-34-18-22-44-20-14-16-32-54(44)56)42-35-37-50(38-36-42)58(48-27-9-3-10-28-48)55-33-17-21-43-19-13-15-31-53(43)55/h1-41H
InChIKeyBGNCXQAFFJZAET-UHFFFAOYSA-N
XLogP16.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 69120813) is 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is BGNCXQAFFJZAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c1-5-23-46(24-6-1)57(47-25-7-2-8-26-47)51-39-45(40-52(41-51)59(49-29-11-4-12-30-49)56-34-18-22-44-20-14-16-32-54(44)56)42-35-37-50(38-36-42)58(48-27-9-3-10-28-48)55-33-17-21-43-19-13-15-31-53(43)55/h1-41H.
What are the key properties of 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 755.97 g/mol, XLogP of 16.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-naphthalen-1-yl-5-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 69120813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).