1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine

C48H29N5OS — CID 141218250

About 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine

1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine (PubChem CID 141218250) has the molecular formula C48H29N5OS and a molecular weight of 723.86 g/mol. Its IUPAC name is 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine.

Molecular Properties

• Compound Name: 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine
• PubChem CID: 141218250
• Molecular Formula: C48H29N5OS
• Molecular Weight: 723.86 g/mol
• Exact Mass: 723.21
• IUPAC Name: 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine
• SMILES: c1ccc2c(c1)Nc1c(cccc1-c1c3c(cc(-c4cccc5c4[nH]c4ccccc45)c1-c1cccc4nc5ccccc5nc14)Sc1ccccc1N3)O2
• InChI: InChI=1S/C48H29N5OS/c1-2-17-33-27(12-1)28-13-9-14-29(45(28)50-33)32-26-42-48(53-37-21-6-8-25-41(37)55-42)44(31-16-11-24-40-47(31)52-36-20-5-7-23-39(36)54-40)43(32)30-15-10-22-38-46(30)51-35-19-4-3-18-34(35)49-38/h1-26,50,52-53H
• InChIKey: AVGVULUDJZMYMI-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 74.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.86
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	3
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 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine?

The IUPAC name of 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine (CID 141218250) is 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine.

What is the SMILES notation for 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine?

The canonical SMILES for 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine is c1ccc2c(c1)Nc1c(cccc1-c1c3c(cc(-c4cccc5c4[nH]c4ccccc45)c1-c1cccc4nc5ccccc5nc14)Sc1ccccc1N3)O2.

What is the InChIKey of 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine?

The InChIKey is AVGVULUDJZMYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5OS/c1-2-17-33-27(12-1)28-13-9-14-29(45(28)50-33)32-26-42-48(53-37-21-6-8-25-41(37)55-42)44(31-16-11-24-40-47(31)52-36-20-5-7-23-39(36)54-40)43(32)30-15-10-22-38-46(30)51-35-19-4-3-18-34(35)49-38/h1-26,50,52-53H.

What are the key properties of 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine?

1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine has a molecular weight of 723.86 g/mol, XLogP of 13.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(9H-carbazol-1-yl)-2-phenazin-1-yl-10H-phenothiazin-1-yl]-10H-phenoxazine is sourced from PubChem (CID 141218250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).