10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine

C29H23N5S — CID 171073762

IUPAC10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine
SMILESCN1c2ccc(-c3ccc4c(cnn4C)c3)cc2Sc2cc(-c3ccc4c(cnn4C)c3)ccc21
InChIInChI=1S/C29H23N5S/c1-32-26-10-6-20(18-4-8-24-22(12-18)16-30-33(24)2)14-28(26)35-29-15-21(7-11-27(29)32)19-5-9-25-23(13-19)17-31-34(25)3/h4-17H,1-3H3
InChIKeyRYGCHYYQDSAYFE-UHFFFAOYSA-N
MW473.61 g/mol
LogP7.03
Rot. Bonds2

About 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine

10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine (PubChem CID 171073762) has the molecular formula C29H23N5S and a molecular weight of 473.61 g/mol. Its IUPAC name is 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine.

Molecular Properties

Compound Name10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine
PubChem CID171073762
Molecular FormulaC29H23N5S
Molecular Weight473.61 g/mol
Exact Mass473.17
IUPAC Name10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine
SMILESCN1c2ccc(-c3ccc4c(cnn4C)c3)cc2Sc2cc(-c3ccc4c(cnn4C)c3)ccc21
InChIInChI=1S/C29H23N5S/c1-32-26-10-6-20(18-4-8-24-22(12-18)16-30-33(24)2)14-28(26)35-29-15-21(7-11-27(29)32)19-5-9-25-23(13-19)17-31-34(25)3/h4-17H,1-3H3
InChIKeyRYGCHYYQDSAYFE-UHFFFAOYSA-N
XLogP7.03
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine?
The IUPAC name of 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine (CID 171073762) is 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine.
What is the SMILES notation for 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine?
The canonical SMILES for 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine is CN1c2ccc(-c3ccc4c(cnn4C)c3)cc2Sc2cc(-c3ccc4c(cnn4C)c3)ccc21.
What is the InChIKey of 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine?
The InChIKey is RYGCHYYQDSAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5S/c1-32-26-10-6-20(18-4-8-24-22(12-18)16-30-33(24)2)14-28(26)35-29-15-21(7-11-27(29)32)19-5-9-25-23(13-19)17-31-34(25)3/h4-17H,1-3H3.
What are the key properties of 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine?
10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine has a molecular weight of 473.61 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,7-bis(1-methylindazol-5-yl)phenothiazine is sourced from PubChem (CID 171073762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).