2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C67H68N4 — CID 20720491

IUPAC2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCc1cccc(N(c2ccccc2)c2c(C)c(C)c(N(c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3C)c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3C)c(C)c2C)c1
InChIInChI=1S/C67H68N4/c1-43-30-29-41-61(42-43)70(60-39-27-18-28-40-60)64-48(6)54(12)67(55(13)49(64)7)71(65-50(8)44(2)62(45(3)51(65)9)68(56-31-19-14-20-32-56)57-33-21-15-22-34-57)66-52(10)46(4)63(47(5)53(66)11)69(58-35-23-16-24-36-58)59-37-25-17-26-38-59/h14-42H,1-13H3
InChIKeyBVVDCLUMKQUSEB-UHFFFAOYSA-N
MW929.31 g/mol
LogP19.58
Rot. Bonds12

About 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine

2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 20720491) has the molecular formula C67H68N4 and a molecular weight of 929.31 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID20720491
Molecular FormulaC67H68N4
Molecular Weight929.31 g/mol
Exact Mass928.54
IUPAC Name2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCc1cccc(N(c2ccccc2)c2c(C)c(C)c(N(c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3C)c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3C)c(C)c2C)c1
InChIInChI=1S/C67H68N4/c1-43-30-29-41-61(42-43)70(60-39-27-18-28-40-60)64-48(6)54(12)67(55(13)49(64)7)71(65-50(8)44(2)62(45(3)51(65)9)68(56-31-19-14-20-32-56)57-33-21-15-22-34-57)66-52(10)46(4)63(47(5)53(66)11)69(58-35-23-16-24-36-58)59-37-25-17-26-38-59/h14-42H,1-13H3
InChIKeyBVVDCLUMKQUSEB-UHFFFAOYSA-N
XLogP19.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.31
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 20720491) is 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine is Cc1cccc(N(c2ccccc2)c2c(C)c(C)c(N(c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3C)c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3C)c(C)c2C)c1.
What is the InChIKey of 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is BVVDCLUMKQUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H68N4/c1-43-30-29-41-61(42-43)70(60-39-27-18-28-40-60)64-48(6)54(12)67(55(13)49(64)7)71(65-50(8)44(2)62(45(3)51(65)9)68(56-31-19-14-20-32-56)57-33-21-15-22-34-57)66-52(10)46(4)63(47(5)53(66)11)69(58-35-23-16-24-36-58)59-37-25-17-26-38-59/h14-42H,1-13H3.
What are the key properties of 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 929.31 g/mol, XLogP of 19.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 20720491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).