3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one

C45H31NOTe — CID 165377143

About 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one

3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one (PubChem CID 165377143) has the molecular formula C45H31NOTe and a molecular weight of 729.35 g/mol. Its IUPAC name is 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one.

Molecular Properties

• Compound Name: 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one
• PubChem CID: 165377143
• Molecular Formula: C45H31NOTe
• Molecular Weight: 729.35 g/mol
• Exact Mass: 731.15
• IUPAC Name: 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one
• SMILES: Cc1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)cc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccccc6[te]c5c4)c3)c12
• InChI: InChI=1S/C45H31NOTe/c1-28-22-34(30-12-5-3-6-13-30)25-39-40-26-35(31-14-7-4-8-15-31)23-29(2)44(40)46(43(28)39)36-17-11-16-32(24-36)33-20-21-38-42(27-33)48-41-19-10-9-18-37(41)45(38)47/h3-27H,1-2H3
• InChIKey: BSVRINOHTQYEPC-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.35
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one?

The IUPAC name of 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one (CID 165377143) is 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one.

What is the SMILES notation for 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one?

The canonical SMILES for 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one is Cc1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)cc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccccc6[te]c5c4)c3)c12.

What is the InChIKey of 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one?

The InChIKey is BSVRINOHTQYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NOTe/c1-28-22-34(30-12-5-3-6-13-30)25-39-40-26-35(31-14-7-4-8-15-31)23-29(2)44(40)46(43(28)39)36-17-11-16-32(24-36)33-20-21-38-42(27-33)48-41-19-10-9-18-37(41)45(38)47/h3-27H,1-2H3.

What are the key properties of 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one?

3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one has a molecular weight of 729.35 g/mol, XLogP of 11.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1,8-dimethyl-3,6-diphenylcarbazol-9-yl)phenyl]telluroxanthen-9-one is sourced from PubChem (CID 165377143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).