4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline

C91H70N4 — CID 130242347

About 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline

4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline (PubChem CID 130242347) has the molecular formula C91H70N4 and a molecular weight of 1219.59 g/mol. Its IUPAC name is 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
• PubChem CID: 130242347
• Molecular Formula: C91H70N4
• Molecular Weight: 1219.59 g/mol
• Exact Mass: 1218.56
• IUPAC Name: 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
• SMILES: CC1CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)=CC=C1N(c1ccccc1)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C91H70N4/c1-67-66-79(50-65-91(67)95(83-30-18-7-19-31-83)90-63-46-73(47-64-90)69-22-10-3-11-23-69)78-48-61-89(62-49-78)94(82-28-16-6-17-29-82)86-55-40-75(41-56-86)71-34-32-70(33-35-71)74-38-53-85(54-39-74)93(81-26-14-5-15-27-81)88-59-44-77(45-60-88)76-42-57-87(58-43-76)92(80-24-12-4-13-25-80)84-51-36-72(37-52-84)68-20-8-2-9-21-68/h2-65,67H,66H2,1H3
• InChIKey: WZIBHMBIDDMCML-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.59
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline?

The IUPAC name of 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline (CID 130242347) is 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline.

What is the SMILES notation for 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline?

The canonical SMILES for 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline is CC1CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)=CC=C1N(c1ccccc1)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline?

The InChIKey is WZIBHMBIDDMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H70N4/c1-67-66-79(50-65-91(67)95(83-30-18-7-19-31-83)90-63-46-73(47-64-90)69-22-10-3-11-23-69)78-48-61-89(62-49-78)94(82-28-16-6-17-29-82)86-55-40-75(41-56-86)71-34-32-70(33-35-71)74-38-53-85(54-39-74)93(81-26-14-5-15-27-81)88-59-44-77(45-60-88)76-42-57-87(58-43-76)92(80-24-12-4-13-25-80)84-51-36-72(37-52-84)68-20-8-2-9-21-68/h2-65,67H,66H2,1H3.

What are the key properties of 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline?

4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline has a molecular weight of 1219.59 g/mol, XLogP of 25.58, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-methyl-4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 130242347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).