4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione

C42H23N3O4 — CID 164765230

About 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione

4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione (PubChem CID 164765230) has the molecular formula C42H23N3O4 and a molecular weight of 633.66 g/mol. Its IUPAC name is 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

• Compound Name: 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
• PubChem CID: 164765230
• Molecular Formula: C42H23N3O4
• Molecular Weight: 633.66 g/mol
• Exact Mass: 633.17
• IUPAC Name: 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
• SMILES: O=c1c2ccccc2oc2cc3oc4c(-n5c6ccc(-c7ccncc7)cc6c6cc(-c7ccncc7)ccc65)cccc4c(=O)c3cc12
• InChI: InChI=1S/C42H23N3O4/c46-40-28-4-1-2-7-37(28)48-38-23-39-33(22-32(38)40)41(47)29-5-3-6-36(42(29)49-39)45-34-10-8-26(24-12-16-43-17-13-24)20-30(34)31-21-27(9-11-35(31)45)25-14-18-44-19-15-25/h1-23H
• InChIKey: ULBIRVMLPMLUAW-UHFFFAOYSA-N
• XLogP: 9.43
• TPSA: 91.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.66
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione?

The IUPAC name of 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione (CID 164765230) is 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione.

What is the SMILES notation for 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione?

The canonical SMILES for 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione is O=c1c2ccccc2oc2cc3oc4c(-n5c6ccc(-c7ccncc7)cc6c6cc(-c7ccncc7)ccc65)cccc4c(=O)c3cc12.

What is the InChIKey of 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione?

The InChIKey is ULBIRVMLPMLUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23N3O4/c46-40-28-4-1-2-7-37(28)48-38-23-39-33(22-32(38)40)41(47)29-5-3-6-36(42(29)49-39)45-34-10-8-26(24-12-16-43-17-13-24)20-30(34)31-21-27(9-11-35(31)45)25-14-18-44-19-15-25/h1-23H.

What are the key properties of 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione?

4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 633.66 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 164765230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).