2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline

C84H78N2 — CID 72573968

About 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline

2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline (PubChem CID 72573968) has the molecular formula C84H78N2 and a molecular weight of 1115.56 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline.

Molecular Properties

• Compound Name: 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline
• PubChem CID: 72573968
• Molecular Formula: C84H78N2
• Molecular Weight: 1115.56 g/mol
• Exact Mass: 1114.62
• IUPAC Name: 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline
• SMILES: Cc1cccc(C(C)(C)C)c1N(c1ccc(C=Cc2ccc(C=Cc3ccc(N(c4ccc(CC(c5ccccc5)c5ccccc5)cc4)c4c(C)cccc4C(C)(C)C)cc3)cc2)cc1)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C84H78N2/c1-61-23-21-33-79(83(3,4)5)81(61)85(75-55-47-67(48-56-75)59-77(69-25-13-9-14-26-69)70-27-15-10-16-28-70)73-51-43-65(44-52-73)41-39-63-35-37-64(38-36-63)40-42-66-45-53-74(54-46-66)86(82-62(2)24-22-34-80(82)84(6,7)8)76-57-49-68(50-58-76)60-78(71-29-17-11-18-30-71)72-31-19-12-20-32-72/h9-59,78H,60H2,1-8H3
• InChIKey: BYIGTPJZHVVWIS-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.56
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline?

The IUPAC name of 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline (CID 72573968) is 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline.

What is the SMILES notation for 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline?

The canonical SMILES for 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline is Cc1cccc(C(C)(C)C)c1N(c1ccc(C=Cc2ccc(C=Cc3ccc(N(c4ccc(CC(c5ccccc5)c5ccccc5)cc4)c4c(C)cccc4C(C)(C)C)cc3)cc2)cc1)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline?

The InChIKey is BYIGTPJZHVVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H78N2/c1-61-23-21-33-79(83(3,4)5)81(61)85(75-55-47-67(48-56-75)59-77(69-25-13-9-14-26-69)70-27-15-10-16-28-70)73-51-43-65(44-52-73)41-39-63-35-37-64(38-36-63)40-42-66-45-53-74(54-46-66)86(82-62(2)24-22-34-80(82)84(6,7)8)76-57-49-68(50-58-76)60-78(71-29-17-11-18-30-71)72-31-19-12-20-32-72/h9-59,78H,60H2,1-8H3.

What are the key properties of 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline?

2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline has a molecular weight of 1115.56 g/mol, XLogP of 23.14, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-[4-[2-[4-[2-[4-[N-(2-tert-butyl-6-methylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethyl)phenyl]-6-methylaniline is sourced from PubChem (CID 72573968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).