3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline

C79H67N3 — CID 134172904

IUPAC3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccc(C(CCc4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc6)cc5)cc4)c4ccccc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C79H67N3/c1-57-15-11-23-75(53-57)81(76-24-12-16-58(2)54-76)73-48-40-65(41-49-73)63-32-34-69(35-33-63)79(68-19-7-5-8-20-68)52-29-61-27-30-62(31-28-61)64-36-44-71(45-37-64)80(70-21-9-6-10-22-70)72-46-38-66(39-47-72)67-42-50-74(51-43-67)82(77-25-13-17-59(3)55-77)78-26-14-18-60(4)56-78/h5-28,30-51,53-56,79H,29,52H2,1-4H3
InChIKeyROWRNVKEYDHAST-UHFFFAOYSA-N
MW1058.43 g/mol
LogP22.10
Rot. Bonds17

About 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline

3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline (PubChem CID 134172904) has the molecular formula C79H67N3 and a molecular weight of 1058.43 g/mol. Its IUPAC name is 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
PubChem CID134172904
Molecular FormulaC79H67N3
Molecular Weight1058.43 g/mol
Exact Mass1057.53
IUPAC Name3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(-c3ccc(C(CCc4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc6)cc5)cc4)c4ccccc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C79H67N3/c1-57-15-11-23-75(53-57)81(76-24-12-16-58(2)54-76)73-48-40-65(41-49-73)63-32-34-69(35-33-63)79(68-19-7-5-8-20-68)52-29-61-27-30-62(31-28-61)64-36-44-71(45-37-64)80(70-21-9-6-10-22-70)72-46-38-66(39-47-72)67-42-50-74(51-43-67)82(77-25-13-17-59(3)55-77)78-26-14-18-60(4)56-78/h5-28,30-51,53-56,79H,29,52H2,1-4H3
InChIKeyROWRNVKEYDHAST-UHFFFAOYSA-N
XLogP22.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.43
LogP ≤ 522.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline with MolForge

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Related Compounds

3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
CID 70214853
1-N-[4-(N-(3-ethylphenyl)-3-methylanilino)phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 154529575
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline?
The IUPAC name of 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline (CID 134172904) is 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline.
What is the SMILES notation for 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline?
The canonical SMILES for 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline is Cc1cccc(N(c2ccc(-c3ccc(C(CCc4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc6)cc5)cc4)c4ccccc4)cc3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline?
The InChIKey is ROWRNVKEYDHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H67N3/c1-57-15-11-23-75(53-57)81(76-24-12-16-58(2)54-76)73-48-40-65(41-49-73)63-32-34-69(35-33-63)79(68-19-7-5-8-20-68)52-29-61-27-30-62(31-28-61)64-36-44-71(45-37-64)80(70-21-9-6-10-22-70)72-46-38-66(39-47-72)67-42-50-74(51-43-67)82(77-25-13-17-59(3)55-77)78-26-14-18-60(4)56-78/h5-28,30-51,53-56,79H,29,52H2,1-4H3.
What are the key properties of 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline?
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline has a molecular weight of 1058.43 g/mol, XLogP of 22.10, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline is sourced from PubChem (CID 134172904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).