2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione

C44H26O4 — CID 170440757

About 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione

2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione (PubChem CID 170440757) has the molecular formula C44H26O4 and a molecular weight of 618.69 g/mol. Its IUPAC name is 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione.

Molecular Properties

• Compound Name: 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
• PubChem CID: 170440757
• Molecular Formula: C44H26O4
• Molecular Weight: 618.69 g/mol
• Exact Mass: 618.18
• IUPAC Name: 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
• SMILES: O=c1c2cc(-c3ccc(-c4ccccc4)cc3)ccc2oc2c1ccc1oc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c(=O)c12
• InChI: InChI=1S/C44H26O4/c45-42-35-21-24-40-41(43(46)37-26-34(19-22-38(37)47-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28)44(35)48-39-23-20-33(25-36(39)42)31-15-11-29(12-16-31)27-7-3-1-4-8-27/h1-26H
• InChIKey: ZSVUFYDZRADXDS-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 60.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.69
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

The IUPAC name of 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione (CID 170440757) is 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione.

What is the SMILES notation for 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

The canonical SMILES for 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione is O=c1c2cc(-c3ccc(-c4ccccc4)cc3)ccc2oc2c1ccc1oc3ccc(-c4ccc(-c5ccccc5)cc4)cc3c(=O)c12.

What is the InChIKey of 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

The InChIKey is ZSVUFYDZRADXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O4/c45-42-35-21-24-40-41(43(46)37-26-34(19-22-38(37)47-40)32-17-13-30(14-18-32)28-9-5-2-6-10-28)44(35)48-39-23-20-33(25-36(39)42)31-15-11-29(12-16-31)27-7-3-1-4-8-27/h1-26H.

What are the key properties of 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione has a molecular weight of 618.69 g/mol, XLogP of 10.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione is sourced from PubChem (CID 170440757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).