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

C88H68N2 — CID 121322983

IUPAC2-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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3c(C)cccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1c(C)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C88H68N2/c1-61-21-17-35-83(73-41-37-69(38-42-73)65-23-9-5-10-24-65)87(61)89(81-51-45-71(46-52-81)77-33-19-31-75(59-77)67-27-13-7-14-28-67)85-55-49-79(57-63(85)3)80-50-56-86(64(4)58-80)90(82-53-47-72(48-54-82)78-34-20-32-76(60-78)68-29-15-8-16-30-68)88-62(2)22-18-36-84(88)74-43-39-70(40-44-74)66-25-11-6-12-26-66/h5-60H,1-4H3
InChIKeyHBAVGUKBXPLXBJ-UHFFFAOYSA-N
MW1153.53 g/mol
LogP24.86
Rot. Bonds15

About 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

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 (PubChem CID 121322983) has the molecular formula C88H68N2 and a molecular weight of 1153.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID121322983
Molecular FormulaC88H68N2
Molecular Weight1153.53 g/mol
Exact Mass1152.54
IUPAC Name2-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
SMILESCc1cc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3c(C)cccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1c(C)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C88H68N2/c1-61-21-17-35-83(73-41-37-69(38-42-73)65-23-9-5-10-24-65)87(61)89(81-51-45-71(46-52-81)77-33-19-31-75(59-77)67-27-13-7-14-28-67)85-55-49-79(57-63(85)3)80-50-56-86(64(4)58-80)90(82-53-47-72(48-54-82)78-34-20-32-76(60-78)68-29-15-8-16-30-68)88-62(2)22-18-36-84(88)74-43-39-70(40-44-74)66-25-11-6-12-26-66/h5-60H,1-4H3
InChIKeyHBAVGUKBXPLXBJ-UHFFFAOYSA-N
XLogP24.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.53
LogP ≤ 524.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
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-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
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
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-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-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
1-N,6-N-bis(2-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062572
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-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 121323341

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3c(C)cccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1c(C)cccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is HBAVGUKBXPLXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H68N2/c1-61-21-17-35-83(73-41-37-69(38-42-73)65-23-9-5-10-24-65)87(61)89(81-51-45-71(46-52-81)77-33-19-31-75(59-77)67-27-13-7-14-28-67)85-55-49-79(57-63(85)3)80-50-56-86(64(4)58-80)90(82-53-47-72(48-54-82)78-34-20-32-76(60-78)68-29-15-8-16-30-68)88-62(2)22-18-36-84(88)74-43-39-70(40-44-74)66-25-11-6-12-26-66/h5-60H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1153.53 g/mol, XLogP of 24.86, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121322983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).