2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline

C64H52N2 — CID 121323397

IUPAC2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
SMILESCc1cc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)c(C)c4)c4ccccc4-c4ccccc4)c(C)c3)cc2C)c2ccccc2-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C64H52N2/c1-45-43-55(35-37-57(45)49-21-9-5-10-22-49)65(63-31-19-17-29-59(63)51-25-13-7-14-26-51)61-39-33-53(41-47(61)3)54-34-40-62(48(4)42-54)66(64-32-20-18-30-60(64)52-27-15-8-16-28-52)56-36-38-58(46(2)44-56)50-23-11-6-12-24-50/h5-44H,1-4H3
InChIKeyWWKUJTIMGBEAIG-UHFFFAOYSA-N
MW849.13 g/mol
LogP18.19
Rot. Bonds11

About 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline

2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline (PubChem CID 121323397) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
PubChem CID121323397
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC Name2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
SMILESCc1cc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)c(C)c4)c4ccccc4-c4ccccc4)c(C)c3)cc2C)c2ccccc2-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C64H52N2/c1-45-43-55(35-37-57(45)49-21-9-5-10-22-49)65(63-31-19-17-29-59(63)51-25-13-7-14-26-51)61-39-33-53(41-47(61)3)54-34-40-62(48(4)42-54)66(64-32-20-18-30-60(64)52-27-15-8-16-28-52)56-36-38-58(46(2)44-56)50-23-11-6-12-24-50/h5-44H,1-4H3
InChIKeyWWKUJTIMGBEAIG-UHFFFAOYSA-N
XLogP18.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
CID 121322800
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
2',7'-dimethyl-N-(2-methyl-4-phenylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784257
N-(4-dibenzothiophen-2-ylphenyl)-4-[4-(4-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 121323011
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
N-(4-fluoro-2-phenylphenyl)-4-[4-(N-(4-fluoro-2-phenylphenyl)-4-phenylanilino)-3-methylphenyl]-2-methyl-N-(4-phenylphenyl)aniline
CID 121322783
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2-methyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 158108353
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,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline?
The IUPAC name of 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) is 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline?
The canonical SMILES for 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline is Cc1cc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)c(C)c4)c4ccccc4-c4ccccc4)c(C)c3)cc2C)c2ccccc2-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline?
The InChIKey is WWKUJTIMGBEAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-45-43-55(35-37-57(45)49-21-9-5-10-22-49)65(63-31-19-17-29-59(63)51-25-13-7-14-26-51)61-39-33-53(41-47(61)3)54-34-40-62(48(4)42-54)66(64-32-20-18-30-60(64)52-27-15-8-16-28-52)56-36-38-58(46(2)44-56)50-23-11-6-12-24-50/h5-44H,1-4H3.
What are the key properties of 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline?
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline has a molecular weight of 849.13 g/mol, XLogP of 18.19, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 121323397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).