3,7-bis(1H-indol-5-yl)-10-methylphenoxazine

C29H21N3O — CID 171073742

IUPAC3,7-bis(1H-indol-5-yl)-10-methylphenoxazine
SMILESCN1c2ccc(-c3ccc4[nH]ccc4c3)cc2Oc2cc(-c3ccc4[nH]ccc4c3)ccc21
InChIInChI=1S/C29H21N3O/c1-32-26-8-4-20(18-2-6-24-22(14-18)10-12-30-24)16-28(26)33-29-17-21(5-9-27(29)32)19-3-7-25-23(15-19)11-13-31-25/h2-17,30-31H,1H3
InChIKeyIWBHKGHBAZQLPX-UHFFFAOYSA-N
MW427.51 g/mol
LogP7.86
Rot. Bonds2

About 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine

3,7-bis(1H-indol-5-yl)-10-methylphenoxazine (PubChem CID 171073742) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine.

Molecular Properties

Compound Name3,7-bis(1H-indol-5-yl)-10-methylphenoxazine
PubChem CID171073742
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name3,7-bis(1H-indol-5-yl)-10-methylphenoxazine
SMILESCN1c2ccc(-c3ccc4[nH]ccc4c3)cc2Oc2cc(-c3ccc4[nH]ccc4c3)ccc21
InChIInChI=1S/C29H21N3O/c1-32-26-8-4-20(18-2-6-24-22(14-18)10-12-30-24)16-28(26)33-29-17-21(5-9-27(29)32)19-3-7-25-23(15-19)11-13-31-25/h2-17,30-31H,1H3
InChIKeyIWBHKGHBAZQLPX-UHFFFAOYSA-N
XLogP7.86
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine?
The IUPAC name of 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine (CID 171073742) is 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine.
What is the SMILES notation for 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine?
The canonical SMILES for 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine is CN1c2ccc(-c3ccc4[nH]ccc4c3)cc2Oc2cc(-c3ccc4[nH]ccc4c3)ccc21.
What is the InChIKey of 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine?
The InChIKey is IWBHKGHBAZQLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-32-26-8-4-20(18-2-6-24-22(14-18)10-12-30-24)16-28(26)33-29-17-21(5-9-27(29)32)19-3-7-25-23(15-19)11-13-31-25/h2-17,30-31H,1H3.
What are the key properties of 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine?
3,7-bis(1H-indol-5-yl)-10-methylphenoxazine has a molecular weight of 427.51 g/mol, XLogP of 7.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(1H-indol-5-yl)-10-methylphenoxazine is sourced from PubChem (CID 171073742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).