4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline

C80H70N4O — CID 57041679

IUPAC4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3Oc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C80H70N4O/c1-55-15-31-65(32-16-55)81(66-33-17-56(2)18-34-66)73-13-9-11-63(51-73)77-53-75(83(69-39-23-59(5)24-40-69)70-41-25-60(6)26-42-70)47-49-79(77)85-80-50-48-76(84(71-43-27-61(7)28-44-71)72-45-29-62(8)30-46-72)54-78(80)64-12-10-14-74(52-64)82(67-35-19-57(3)20-36-67)68-37-21-58(4)22-38-68/h9-54H,1-8H3
InChIKeyCWAPJSNJXJDCAL-UHFFFAOYSA-N
MW1103.47 g/mol
LogP23.16
Rot. Bonds16

About 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline

4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 57041679) has the molecular formula C80H70N4O and a molecular weight of 1103.47 g/mol. Its IUPAC name is 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID57041679
Molecular FormulaC80H70N4O
Molecular Weight1103.47 g/mol
Exact Mass1102.55
IUPAC Name4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3Oc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C80H70N4O/c1-55-15-31-65(32-16-55)81(66-33-17-56(2)18-34-66)73-13-9-11-63(51-73)77-53-75(83(69-39-23-59(5)24-40-69)70-41-25-60(6)26-42-70)47-49-79(77)85-80-50-48-76(84(71-43-27-61(7)28-44-71)72-45-29-62(8)30-46-72)54-78(80)64-12-10-14-74(52-64)82(67-35-19-57(3)20-36-67)68-37-21-58(4)22-38-68/h9-54H,1-8H3
InChIKeyCWAPJSNJXJDCAL-UHFFFAOYSA-N
XLogP23.16
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.47
LogP ≤ 523.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline with MolForge

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Related Compounds

3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
3-[3-chloro-5-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 118448588
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline (CID 57041679) is 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc3Oc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3-c3cccc(N(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)cc1.
What is the InChIKey of 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is CWAPJSNJXJDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H70N4O/c1-55-15-31-65(32-16-55)81(66-33-17-56(2)18-34-66)73-13-9-11-63(51-73)77-53-75(83(69-39-23-59(5)24-40-69)70-41-25-60(6)26-42-70)47-49-79(77)85-80-50-48-76(84(71-43-27-61(7)28-44-71)72-45-29-62(8)30-46-72)54-78(80)64-12-10-14-74(52-64)82(67-35-19-57(3)20-36-67)68-37-21-58(4)22-38-68/h9-54H,1-8H3.
What are the key properties of 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline?
4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 1103.47 g/mol, XLogP of 23.16, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-N-(4-methylphenyl)anilino)-2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-3-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 57041679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).