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

C72H50N6O4S — CID 144961417

IUPAC3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine
SMILESON1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.ON1c2ccccc2Sc2cc(-n3c4ccccc4c4ccccc43)ccc21.On1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=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
InChIKeyWAVNLHZCOFMDGW-UHFFFAOYSA-N
MW1095.30 g/mol
LogP19.69
Rot. Bonds5

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 Name3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine
PubChem CID144961417
Molecular FormulaC72H50N6O4S
Molecular Weight1095.30 g/mol
Exact Mass1094.36
IUPAC Name3-carbazol-9-yl-10-hydroxyphenothiazine;3-carbazol-9-yl-10-hydroxyphenoxazine;9-hydroxy-N,N-diphenylcarbazol-3-amine
SMILESON1c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.ON1c2ccccc2Sc2cc(-n3c4ccccc4c4ccccc43)ccc21.On1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=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
InChIKeyWAVNLHZCOFMDGW-UHFFFAOYSA-N
XLogP19.69
TPSA94.43 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.30
LogP ≤ 519.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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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).