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

C76H60N2 — CID 121322868

IUPAC4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2cc(C)c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C76H60N2/c1-53-47-67(48-54(2)75(53)77(73-37-19-17-35-71(73)61-27-13-7-14-28-61)69-43-39-59(40-44-69)65-33-21-31-63(51-65)57-23-9-5-10-24-57)68-49-55(3)76(56(4)50-68)78(74-38-20-18-36-72(74)62-29-15-8-16-30-62)70-45-41-60(42-46-70)66-34-22-32-64(52-66)58-25-11-6-12-26-58/h5-52H,1-4H3
InChIKeyMXPAMIIXELHRHM-UHFFFAOYSA-N
MW1001.33 g/mol
LogP21.53
Rot. Bonds13

About 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

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 (PubChem CID 121322868) has the molecular formula C76H60N2 and a molecular weight of 1001.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID121322868
Molecular FormulaC76H60N2
Molecular Weight1001.33 g/mol
Exact Mass1000.48
IUPAC Name4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1cc(-c2cc(C)c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C76H60N2/c1-53-47-67(48-54(2)75(53)77(73-37-19-17-35-71(73)61-27-13-7-14-28-61)69-43-39-59(40-44-69)65-33-21-31-63(51-65)57-23-9-5-10-24-57)68-49-55(3)76(56(4)50-68)78(74-38-20-18-36-72(74)62-29-15-8-16-30-62)70-45-41-60(42-46-70)66-34-22-32-64(52-66)58-25-11-6-12-26-58/h5-52H,1-4H3
InChIKeyMXPAMIIXELHRHM-UHFFFAOYSA-N
XLogP21.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.33
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121322879
N-(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-yl-N-(2-phenylphenyl)anilino)-3,5-dimethylphenyl]-2,6-dimethyl-N-(2-phenylphenyl)aniline
CID 121322890
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285801
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc(C)c(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccccc3-c3ccccc3)c(C)c2)cc(C)c1N(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is MXPAMIIXELHRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N2/c1-53-47-67(48-54(2)75(53)77(73-37-19-17-35-71(73)61-27-13-7-14-28-61)69-43-39-59(40-44-69)65-33-21-31-63(51-65)57-23-9-5-10-24-57)68-49-55(3)76(56(4)50-68)78(74-38-20-18-36-72(74)62-29-15-8-16-30-62)70-45-41-60(42-46-70)66-34-22-32-64(52-66)58-25-11-6-12-26-58/h5-52H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1001.33 g/mol, XLogP of 21.53, 13 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-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 121322868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).