[3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol

C37H27NO — CID 139983905

About [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol

[3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol (PubChem CID 139983905) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol.

Molecular Properties

• Compound Name: [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol
• PubChem CID: 139983905
• Molecular Formula: C37H27NO
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.21
• IUPAC Name: [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol
• SMILES: OCc1cccc(-c2ccc(N(c3ccc4cc5ccccc5cc4c3)c3cccc4ccccc34)cc2)c1
• InChI: InChI=1S/C37H27NO/c39-25-26-7-5-12-29(21-26)27-15-18-34(19-16-27)38(37-14-6-11-28-8-3-4-13-36(28)37)35-20-17-32-22-30-9-1-2-10-31(30)23-33(32)24-35/h1-24,39H,25H2
• InChIKey: XDDWSYKGUYOWRR-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol?

The IUPAC name of [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol (CID 139983905) is [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol.

What is the SMILES notation for [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol?

The canonical SMILES for [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol is OCc1cccc(-c2ccc(N(c3ccc4cc5ccccc5cc4c3)c3cccc4ccccc34)cc2)c1.

What is the InChIKey of [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol?

The InChIKey is XDDWSYKGUYOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c39-25-26-7-5-12-29(21-26)27-15-18-34(19-16-27)38(37-14-6-11-28-8-3-4-13-36(28)37)35-20-17-32-22-30-9-1-2-10-31(30)23-33(32)24-35/h1-24,39H,25H2.

What are the key properties of [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol?

[3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol has a molecular weight of 501.63 g/mol, XLogP of 9.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol is sourced from PubChem (CID 139983905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).