N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline

C62H48N2 — CID 121322665

IUPACN-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
SMILESCc1cc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)c(C)c2)ccc1N(c1ccccc1)c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C62H48N2/c1-45-43-51(39-41-59(45)63(53-31-17-7-18-32-53)61-55(47-23-9-3-10-24-47)35-21-36-56(61)48-25-11-4-12-26-48)52-40-42-60(46(2)44-52)64(54-33-19-8-20-34-54)62-57(49-27-13-5-14-28-49)37-22-38-58(62)50-29-15-6-16-30-50/h3-44H,1-2H3
InChIKeyJDUYGRBKMFFWKB-UHFFFAOYSA-N
MW821.08 g/mol
LogP17.58
Rot. Bonds11

About N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline

N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline (PubChem CID 121322665) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline.

Molecular Properties

Compound NameN-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
PubChem CID121322665
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC NameN-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
SMILESCc1cc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)c(C)c2)ccc1N(c1ccccc1)c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C62H48N2/c1-45-43-51(39-41-59(45)63(53-31-17-7-18-32-53)61-55(47-23-9-3-10-24-47)35-21-36-56(61)48-25-11-4-12-26-48)52-40-42-60(46(2)44-52)64(54-33-19-8-20-34-54)62-57(49-27-13-5-14-28-49)37-22-38-58(62)50-29-15-6-16-30-50/h3-44H,1-2H3
InChIKeyJDUYGRBKMFFWKB-UHFFFAOYSA-N
XLogP17.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
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
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
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-[4-[4-(4-dibenzofuran-4-yl-N-[2-methyl-6-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-6-(4-phenylphenyl)aniline
CID 121323023
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-(2-methyl-6-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121323106
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397
N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
CID 121322800
2-N,7-N-bis(2-methyl-4-phenylphenyl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 129062954
N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
CID 121322783

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline?
The IUPAC name of N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline (CID 121322665) is N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline.
What is the SMILES notation for N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline?
The canonical SMILES for N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline is Cc1cc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)c(C)c2)ccc1N(c1ccccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline?
The InChIKey is JDUYGRBKMFFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-45-43-51(39-41-59(45)63(53-31-17-7-18-32-53)61-55(47-23-9-3-10-24-47)35-21-36-56(61)48-25-11-4-12-26-48)52-40-42-60(46(2)44-52)64(54-33-19-8-20-34-54)62-57(49-27-13-5-14-28-49)37-22-38-58(62)50-29-15-6-16-30-50/h3-44H,1-2H3.
What are the key properties of N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline?
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline has a molecular weight of 821.08 g/mol, XLogP of 17.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline is sourced from PubChem (CID 121322665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).