2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one

C38H21N3O3 — CID 118531831

About 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one

2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one (PubChem CID 118531831) has the molecular formula C38H21N3O3 and a molecular weight of 567.60 g/mol. Its IUPAC name is 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one.

Molecular Properties

• Compound Name: 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one
• PubChem CID: 118531831
• Molecular Formula: C38H21N3O3
• Molecular Weight: 567.60 g/mol
• Exact Mass: 567.16
• IUPAC Name: 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one
• SMILES: O=c1c2ccccc2oc2cc3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)oc3cc12
• InChI: InChI=1S/C38H21N3O3/c42-37-25-14-6-9-17-34(25)43-35-21-29-36(20-28(35)37)44-38(39-29)41-31-16-8-5-13-24(31)27-18-32-26(19-33(27)41)23-12-4-7-15-30(23)40(32)22-10-2-1-3-11-22/h1-21H
• InChIKey: BCDZINPDHRBTNH-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 66.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.60
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one?

The IUPAC name of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one (CID 118531831) is 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one.

What is the SMILES notation for 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one?

The canonical SMILES for 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one is O=c1c2ccccc2oc2cc3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)oc3cc12.

What is the InChIKey of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one?

The InChIKey is BCDZINPDHRBTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O3/c42-37-25-14-6-9-17-34(25)43-35-21-29-36(20-28(35)37)44-38(39-29)41-31-16-8-5-13-24(31)27-18-32-26(19-33(27)41)23-12-4-7-15-30(23)40(32)22-10-2-1-3-11-22/h1-21H.

What are the key properties of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one?

2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one has a molecular weight of 567.60 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one is sourced from PubChem (CID 118531831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).