N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline

C69H66N2 — CID 129145576

About N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline

N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline (PubChem CID 129145576) has the molecular formula C69H66N2 and a molecular weight of 923.30 g/mol. Its IUPAC name is N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline
• PubChem CID: 129145576
• Molecular Formula: C69H66N2
• Molecular Weight: 923.30 g/mol
• Exact Mass: 922.52
• IUPAC Name: N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline
• SMILES: CC1CC(c2ccccc2)=CC=C1CN(c1ccc(C2=CC(C)C(C3C=CC(N(C4=CCC(c5ccccc5)C=C4)C4=CC=C(C5=CC=CCC5)CC4)=CC3)C=C2)cc1)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C69H66N2/c1-50-47-61(55-21-13-6-14-22-55)23-24-63(50)49-70(64-36-25-56(26-37-64)52-15-7-3-8-16-52)65-38-27-59(28-39-65)62-35-46-69(51(2)48-62)60-33-44-68(45-34-60)71(66-40-29-57(30-41-66)53-17-9-4-10-18-53)67-42-31-58(32-43-67)54-19-11-5-12-20-54/h3-11,13-19,21-29,31,33,35-42,44-46,48,50-51,57,60,69H,12,20,30,32,34,43,47,49H2,1-2H3
• InChIKey: XABCVBTYKMKJMC-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.30
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline?

The IUPAC name of N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline (CID 129145576) is N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline.

What is the SMILES notation for N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline?

The canonical SMILES for N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline is CC1CC(c2ccccc2)=CC=C1CN(c1ccc(C2=CC(C)C(C3C=CC(N(C4=CCC(c5ccccc5)C=C4)C4=CC=C(C5=CC=CCC5)CC4)=CC3)C=C2)cc1)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline?

The InChIKey is XABCVBTYKMKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H66N2/c1-50-47-61(55-21-13-6-14-22-55)23-24-63(50)49-70(64-36-25-56(26-37-64)52-15-7-3-8-16-52)65-38-27-59(28-39-65)62-35-46-69(51(2)48-62)60-33-44-68(45-34-60)71(66-40-29-57(30-41-66)53-17-9-4-10-18-53)67-42-31-58(32-43-67)54-19-11-5-12-20-54/h3-11,13-19,21-29,31,33,35-42,44-46,48,50-51,57,60,69H,12,20,30,32,34,43,47,49H2,1-2H3.

What are the key properties of N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline?

N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline has a molecular weight of 923.30 g/mol, XLogP of 18.02, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline is sourced from PubChem (CID 129145576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).