4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine

C69H63N3 — CID 163443787

IUPAC4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(C(Cc5ccc(C)cc5)Cc5ccc(C)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C69H63N3/c1-48-7-17-53(18-8-48)43-59(44-54-19-9-49(2)10-20-54)55-21-23-56(24-22-55)60-45-61(57-25-37-67(38-26-57)71(64-31-11-50(3)12-32-64)65-33-13-51(4)14-34-65)47-62(46-60)58-27-39-68(40-28-58)72(66-35-15-52(5)16-36-66)69-41-29-63(70-6)30-42-69/h7-42,45-47,59,70H,43-44H2,1-6H3
InChIKeyBATRFDSETOAKGQ-UHFFFAOYSA-N
MW934.28 g/mol
LogP18.78
Rot. Bonds15

About 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine

4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 163443787) has the molecular formula C69H63N3 and a molecular weight of 934.28 g/mol. Its IUPAC name is 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
PubChem CID163443787
Molecular FormulaC69H63N3
Molecular Weight934.28 g/mol
Exact Mass933.50
IUPAC Name4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCNc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(C(Cc5ccc(C)cc5)Cc5ccc(C)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C69H63N3/c1-48-7-17-53(18-8-48)43-59(44-54-19-9-49(2)10-20-54)55-21-23-56(24-22-55)60-45-61(57-25-37-67(38-26-57)71(64-31-11-50(3)12-32-64)65-33-13-51(4)14-34-65)47-62(46-60)58-27-39-68(40-28-58)72(66-35-15-52(5)16-36-66)69-41-29-63(70-6)30-42-69/h7-42,45-47,59,70H,43-44H2,1-6H3
InChIKeyBATRFDSETOAKGQ-UHFFFAOYSA-N
XLogP18.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.28
LogP ≤ 518.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[3-methyl-2-(4-pentan-3-ylphenyl)butyl]phenyl]-N-(4-methylphenyl)aniline
CID 143848074
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
[2-[4-[4-[2-(2-ethylbutanoyloxy)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenyl]phenyl]-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl] 2-ethylbutanoate
CID 58918288
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-(4-methylphenyl)phenyl]benzene-1,3,5-triamine
CID 161439793
N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline
CID 18716616
1-N,1-N,4-N-triphenyl-4-N-[4-[4-[2-phenyl-2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]phenyl]benzene-1,4-diamine
CID 123954452

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine (CID 163443787) is 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine is CNc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(C(Cc5ccc(C)cc5)Cc5ccc(C)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is BATRFDSETOAKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H63N3/c1-48-7-17-53(18-8-48)43-59(44-54-19-9-49(2)10-20-54)55-21-23-56(24-22-55)60-45-61(57-25-37-67(38-26-57)71(64-31-11-50(3)12-32-64)65-33-13-51(4)14-34-65)47-62(46-60)58-27-39-68(40-28-58)72(66-35-15-52(5)16-36-66)69-41-29-63(70-6)30-42-69/h7-42,45-47,59,70H,43-44H2,1-6H3.
What are the key properties of 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 934.28 g/mol, XLogP of 18.78, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[3-[4-[1,3-bis(4-methylphenyl)propan-2-yl]phenyl]-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 163443787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).