4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline

C90H68N2 — CID 76826398

About 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline

4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline (PubChem CID 76826398) has the molecular formula C90H68N2 and a molecular weight of 1177.55 g/mol. Its IUPAC name is 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline
• PubChem CID: 76826398
• Molecular Formula: C90H68N2
• Molecular Weight: 1177.55 g/mol
• Exact Mass: 1176.54
• IUPAC Name: 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline
• SMILES: C(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(C=Cc2ccc(N(C=C(c3ccccc3)c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C90H68N2/c1-9-25-75(26-10-1)87(76-27-11-2-12-28-76)65-73-53-61-85(62-54-73)91(67-89(79-33-17-5-18-34-79)80-35-19-6-20-36-80)83-57-49-71(50-58-83)47-45-69-41-43-70(44-42-69)46-48-72-51-59-84(60-52-72)92(68-90(81-37-21-7-22-38-81)82-39-23-8-24-40-82)86-63-55-74(56-64-86)66-88(77-29-13-3-14-30-77)78-31-15-4-16-32-78/h1-68H
• InChIKey: SSLSITPRVJSQJZ-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.55
LogP ≤ 5	23.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline?

The IUPAC name of 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline (CID 76826398) is 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline.

What is the SMILES notation for 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline?

The canonical SMILES for 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline is C(=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(C=Cc2ccc(N(C=C(c3ccccc3)c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline?

The InChIKey is SSLSITPRVJSQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H68N2/c1-9-25-75(26-10-1)87(76-27-11-2-12-28-76)65-73-53-61-85(62-54-73)91(67-89(79-33-17-5-18-34-79)80-35-19-6-20-36-80)83-57-49-71(50-58-83)47-45-69-41-43-70(44-42-69)46-48-72-51-59-84(60-52-72)92(68-90(81-37-21-7-22-38-81)82-39-23-8-24-40-82)86-63-55-74(56-64-86)66-88(77-29-13-3-14-30-77)78-31-15-4-16-32-78/h1-68H.

What are the key properties of 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline?

4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline has a molecular weight of 1177.55 g/mol, XLogP of 23.66, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline is sourced from PubChem (CID 76826398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).