[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol

C51H45NO5 — CID 58325614

About [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol

[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol (PubChem CID 58325614) has the molecular formula C51H45NO5 and a molecular weight of 751.92 g/mol. Its IUPAC name is [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol.

Molecular Properties

• Compound Name: [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
• PubChem CID: 58325614
• Molecular Formula: C51H45NO5
• Molecular Weight: 751.92 g/mol
• Exact Mass: 751.33
• IUPAC Name: [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
• SMILES: COc1ccc(C(=Cc2ccc(N(c3ccc(C=C(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)c3ccc(OC)cc3)cc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C51H45NO5/c1-55-47-26-16-42(17-27-47)51(43-18-28-48(56-2)29-19-43)33-37-10-22-45(23-11-37)52(46-24-30-49(57-3)31-25-46)44-20-8-36(9-21-44)32-50(40-12-4-38(34-53)5-13-40)41-14-6-39(35-54)7-15-41/h4-33,53-54H,34-35H2,1-3H3
• InChIKey: XZSKYGDIBUXBJY-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 71.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.92
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?

The IUPAC name of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol (CID 58325614) is [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol.

What is the SMILES notation for [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?

The canonical SMILES for [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol is COc1ccc(C(=Cc2ccc(N(c3ccc(C=C(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)c3ccc(OC)cc3)cc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?

The InChIKey is XZSKYGDIBUXBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45NO5/c1-55-47-26-16-42(17-27-47)51(43-18-28-48(56-2)29-19-43)33-37-10-22-45(23-11-37)52(46-24-30-49(57-3)31-25-46)44-20-8-36(9-21-44)32-50(40-12-4-38(34-53)5-13-40)41-14-6-39(35-54)7-15-41/h4-33,53-54H,34-35H2,1-3H3.

What are the key properties of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?

[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol has a molecular weight of 751.92 g/mol, XLogP of 11.34, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 58325614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).