1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one

C47H31NO3 — CID 146268349

About 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one

1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one (PubChem CID 146268349) has the molecular formula C47H31NO3 and a molecular weight of 657.77 g/mol. Its IUPAC name is 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one.

Molecular Properties

• Compound Name: 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one
• PubChem CID: 146268349
• Molecular Formula: C47H31NO3
• Molecular Weight: 657.77 g/mol
• Exact Mass: 657.23
• IUPAC Name: 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one
• SMILES: CC1(C)c2ccccc2Oc2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1ccccc1N3c1cccc2oc3ccccc3c(=O)c12
• InChI: InChI=1S/C47H31NO3/c1-46(2)34-20-9-12-24-41(34)51-43-27-39-35(26-36(43)46)47(31-17-6-3-14-28(31)29-15-4-7-18-32(29)47)33-19-8-10-21-37(33)48(39)38-22-13-25-42-44(38)45(49)30-16-5-11-23-40(30)50-42/h3-27H,1-2H3
• InChIKey: NGLOXPYCTGGXFZ-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 42.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.77
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one?

The IUPAC name of 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one (CID 146268349) is 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one.

What is the SMILES notation for 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one?

The canonical SMILES for 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one is CC1(C)c2ccccc2Oc2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1ccccc1N3c1cccc2oc3ccccc3c(=O)c12.

What is the InChIKey of 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one?

The InChIKey is NGLOXPYCTGGXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO3/c1-46(2)34-20-9-12-24-41(34)51-43-27-39-35(26-36(43)46)47(31-17-6-3-14-28(31)29-15-4-7-18-32(29)47)33-19-8-10-21-37(33)48(39)38-22-13-25-42-44(38)45(49)30-16-5-11-23-40(30)50-42/h3-27H,1-2H3.

What are the key properties of 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one?

1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one has a molecular weight of 657.77 g/mol, XLogP of 11.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(14,14-dimethylspiro[chromeno[3,2-b]acridine-12,9'-fluorene]-7-yl)xanthen-9-one is sourced from PubChem (CID 146268349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).