N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C66H46N2 — CID 169016062

IUPACN-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7cccc(N(c8ccccc8)c8cccc9ccccc89)c7)cc6)c45)cc3)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H46N2/c1-3-25-56(26-4-1)67(64-35-15-19-49-17-7-9-31-60(49)64)58-29-11-23-54(45-58)47-37-41-51(42-38-47)62-33-13-21-53-22-14-34-63(66(53)62)52-43-39-48(40-44-52)55-24-12-30-59(46-55)68(57-27-5-2-6-28-57)65-36-16-20-50-18-8-10-32-61(50)65/h1-46H
InChIKeyIVTHMVZROXUXOE-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.75
Rot. Bonds10

About N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 169016062) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID169016062
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2cccc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7cccc(N(c8ccccc8)c8cccc9ccccc89)c7)cc6)c45)cc3)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C66H46N2/c1-3-25-56(26-4-1)67(64-35-15-19-49-17-7-9-31-60(49)64)58-29-11-23-54(45-58)47-37-41-51(42-38-47)62-33-13-21-53-22-14-34-63(66(53)62)52-43-39-48(40-44-52)55-24-12-30-59(46-55)68(57-27-5-2-6-28-57)65-36-16-20-50-18-8-10-32-61(50)65/h1-46H
InChIKeyIVTHMVZROXUXOE-UHFFFAOYSA-N
XLogP18.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 164832132
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
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-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
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
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 169016062) is N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2cccc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7cccc(N(c8ccccc8)c8cccc9ccccc89)c7)cc6)c45)cc3)c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is IVTHMVZROXUXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-3-25-56(26-4-1)67(64-35-15-19-49-17-7-9-31-60(49)64)58-29-11-23-54(45-58)47-37-41-51(42-38-47)62-33-13-21-53-22-14-34-63(66(53)62)52-43-39-48(40-44-52)55-24-12-30-59(46-55)68(57-27-5-2-6-28-57)65-36-16-20-50-18-8-10-32-61(50)65/h1-46H.
What are the key properties of N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 867.11 g/mol, XLogP of 18.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 169016062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).