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

C56H50N2 — CID 170222776

IUPAC5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4)cc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C56H50N2/c1-55(2)37-38-56(3,4)53-40-50(35-36-52(53)55)58(54-26-15-14-25-51(54)44-19-10-6-11-20-44)48-33-29-43(30-34-48)42-27-31-47(32-28-42)57(46-22-12-7-13-23-46)49-24-16-21-45(39-49)41-17-8-5-9-18-41/h5-36,39-40H,37-38H2,1-4H3
InChIKeyVDPDXBOJFBIGFZ-UHFFFAOYSA-N
MW751.03 g/mol
LogP15.98
Rot. Bonds9

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

5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine (PubChem CID 170222776) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
PubChem CID170222776
Molecular FormulaC56H50N2
Molecular Weight751.03 g/mol
Exact Mass750.40
IUPAC Name5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4)cc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C56H50N2/c1-55(2)37-38-56(3,4)53-40-50(35-36-52(53)55)58(54-26-15-14-25-51(54)44-19-10-6-11-20-44)48-33-29-43(30-34-48)42-27-31-47(32-28-42)57(46-22-12-7-13-23-46)49-24-16-21-45(39-49)41-17-8-5-9-18-41/h5-36,39-40H,37-38H2,1-4H3
InChIKeyVDPDXBOJFBIGFZ-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-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
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
CID 167260382
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
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
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
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-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
CID 170222900
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
The IUPAC name of 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine (CID 170222776) is 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc4)cc3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
The InChIKey is VDPDXBOJFBIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-55(2)37-38-56(3,4)53-40-50(35-36-52(53)55)58(54-26-15-14-25-51(54)44-19-10-6-11-20-44)48-33-29-43(30-34-48)42-27-31-47(32-28-42)57(46-22-12-7-13-23-46)49-24-16-21-45(39-49)41-17-8-5-9-18-41/h5-36,39-40H,37-38H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine?
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)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 5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 170222776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).