3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

C56H48N2O2 — CID 163825477

About 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline (PubChem CID 163825477) has the molecular formula C56H48N2O2 and a molecular weight of 781.01 g/mol. Its IUPAC name is 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
• PubChem CID: 163825477
• Molecular Formula: C56H48N2O2
• Molecular Weight: 781.01 g/mol
• Exact Mass: 780.37
• IUPAC Name: 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
• SMILES: COc1cccc(N(C2=CC=C(C3=CC=C(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(OC)c5)cc4)CC3)CC2)c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C56H48N2O2/c1-59-55-17-9-15-53(39-55)57(49-31-23-45(24-32-49)41-11-5-3-6-12-41)51-35-27-47(28-36-51)43-19-21-44(22-20-43)48-29-37-52(38-30-48)58(54-16-10-18-56(40-54)60-2)50-33-25-46(26-34-50)42-13-7-4-8-14-42/h3-19,21,23-29,31-37,39-40H,20,22,30,38H2,1-2H3
• InChIKey: NZCJCAQINSUFLQ-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.01
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline (CID 163825477) is 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline is COc1cccc(N(C2=CC=C(C3=CC=C(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(OC)c5)cc4)CC3)CC2)c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?

The InChIKey is NZCJCAQINSUFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2O2/c1-59-55-17-9-15-53(39-55)57(49-31-23-45(24-32-49)41-11-5-3-6-12-41)51-35-27-47(28-36-51)43-19-21-44(22-20-43)48-29-37-52(38-30-48)58(54-16-10-18-56(40-54)60-2)50-33-25-46(26-34-50)42-13-7-4-8-14-42/h3-19,21,23-29,31-37,39-40H,20,22,30,38H2,1-2H3.

What are the key properties of 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?

3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 781.01 g/mol, XLogP of 15.05, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163825477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).