4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline

C72H56N2 — CID 121322882

IUPAC4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2cc(C)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C72H56N2/c1-49-45-59(46-50(2)71(49)73(69-35-17-15-31-67(69)55-21-7-5-8-22-55)61-41-37-57(38-42-61)65-33-19-27-53-25-11-13-29-63(53)65)60-47-51(3)72(52(4)48-60)74(70-36-18-16-32-68(70)56-23-9-6-10-24-56)62-43-39-58(40-44-62)66-34-20-28-54-26-12-14-30-64(54)66/h5-48H,1-4H3
InChIKeyHKTXTHUQZPAALU-UHFFFAOYSA-N
MW949.25 g/mol
LogP20.50
Rot. Bonds11

About 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline

4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline (PubChem CID 121322882) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
PubChem CID121322882
Molecular FormulaC72H56N2
Molecular Weight949.25 g/mol
Exact Mass948.44
IUPAC Name4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
SMILESCc1cc(-c2cc(C)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C72H56N2/c1-49-45-59(46-50(2)71(49)73(69-35-17-15-31-67(69)55-21-7-5-8-22-55)61-41-37-57(38-42-61)65-33-19-27-53-25-11-13-29-63(53)65)60-47-51(3)72(52(4)48-60)74(70-36-18-16-32-68(70)56-23-9-6-10-24-56)62-43-39-58(40-44-62)66-34-20-28-54-26-12-14-30-64(54)66/h5-48H,1-4H3
InChIKeyHKTXTHUQZPAALU-UHFFFAOYSA-N
XLogP20.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.25
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 59469991
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 121323094

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline?
The IUPAC name of 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline (CID 121322882) is 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline?
The canonical SMILES for 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline is Cc1cc(-c2cc(C)c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline?
The InChIKey is HKTXTHUQZPAALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-49-45-59(46-50(2)71(49)73(69-35-17-15-31-67(69)55-21-7-5-8-22-55)61-41-37-57(38-42-61)65-33-19-27-53-25-11-13-29-63(53)65)60-47-51(3)72(52(4)48-60)74(70-36-18-16-32-68(70)56-23-9-6-10-24-56)62-43-39-58(40-44-62)66-34-20-28-54-26-12-14-30-64(54)66/h5-48H,1-4H3.
What are the key properties of 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline?
4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline has a molecular weight of 949.25 g/mol, XLogP of 20.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 121322882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).