3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine

C₇₂H₅₀N₆O₄S — CID 144961417

About 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine

3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine (PubChem CID 144961417) has the molecular formula C₇₂H₅₀N₆O₄S and a molecular weight of 1095.30 g/mol. Its IUPAC name is 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine
• PubChem CID: 144961417
• Molecular Formula: C₇₂H₅₀N₆O₄S
• Molecular Weight: 1095.30 g/mol
• Exact Mass: 1094.36
• IUPAC Name: 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine
• SMILES: ON1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.ON1c2ccccc2Sc2cc(-n3c4ccccc4c4ccccc43)ccc21.On1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
• InChI: InChI=1S/C24H16N2O2.C24H16N2OS.C24H18N2O/c2*27-26-21-11-5-6-12-23(21)28-24-15-16(13-14-22(24)26)25-19-9-3-1-7-17(19)18-8-2-4-10-20(18)25;27-26-23-14-8-7-13-21(23)22-17-20(15-16-24(22)26)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h2*1-15,27H;1-17,27H
• InChIKey: WAVNLHZCOFMDGW-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 94.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.30
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine?

The IUPAC name of 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine (CID 144961417) is 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine is ON1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.ON1c2ccccc2Sc2cc(-n3c4ccccc4c4ccccc43)ccc21.On1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.

What is the InChIKey of 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine?

The InChIKey is WAVNLHZCOFMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2.C24H16N2OS.C24H18N2O/c2*27-26-21-11-5-6-12-23(21)28-24-15-16(13-14-22(24)26)25-19-9-3-1-7-17(19)18-8-2-4-10-20(18)25;27-26-23-14-8-7-13-21(23)22-17-20(15-16-24(22)26)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h2*1-15,27H;1-17,27H.

What are the key properties of 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine?

3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine has a molecular weight of 1095.30 g/mol, XLogP of 19.69, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 144961417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144961417 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.