N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine

C56H50N2 — CID 171735973

IUPACN-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C56H50N2/c1-55(2)35-36-56(3,4)54-40-51(33-34-53(54)55)58(52-38-45(41-17-9-5-10-18-41)37-46(39-52)42-19-11-6-12-20-42)50-31-27-44(28-32-50)43-25-29-49(30-26-43)57(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-34,37-40H,35-36H2,1-4H3
InChIKeyYQCIESCZKTUMLE-UHFFFAOYSA-N
MW751.03 g/mol
LogP15.98
Rot. Bonds9

About N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine

N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine (PubChem CID 171735973) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
PubChem CID171735973
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC NameN-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C56H50N2/c1-55(2)35-36-56(3,4)54-40-51(33-34-53(54)55)58(52-38-45(41-17-9-5-10-18-41)37-46(39-52)42-19-11-6-12-20-42)50-31-27-44(28-32-50)43-25-29-49(30-26-43)57(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-34,37-40H,35-36H2,1-4H3
InChIKeyYQCIESCZKTUMLE-UHFFFAOYSA-N
XLogP15.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.03
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
CID 171735958
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-(4-spiro[adamantane-2,9'-thioxanthene]-2'-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176595532
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
CID 176764631

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine (CID 171735973) is N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21.
What is the InChIKey of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
The InChIKey is YQCIESCZKTUMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-55(2)35-36-56(3,4)54-40-51(33-34-53(54)55)58(52-38-45(41-17-9-5-10-18-41)37-46(39-52)42-19-11-6-12-20-42)50-31-27-44(28-32-50)43-25-29-49(30-26-43)57(47-21-13-7-14-22-47)48-23-15-8-16-24-48/h5-34,37-40H,35-36H2,1-4H3.
What are the key properties of N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine has a molecular weight of 751.03 g/mol, XLogP of 15.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 171735973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).