3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine

C28H21N5O — CID 171073725

IUPAC3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine
SMILESCn1ncc2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(cnn6C)c5)ccc3N4)ccc21
InChIInChI=1S/C28H21N5O/c1-32-25-9-5-17(11-21(25)15-29-32)19-3-7-23-27(13-19)34-28-14-20(4-8-24(28)31-23)18-6-10-26-22(12-18)16-30-33(26)2/h3-16,31H,1-2H3
InChIKeyOJYCCLCWHSMTMQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.64
Rot. Bonds2

About 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine

3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine (PubChem CID 171073725) has the molecular formula C28H21N5O and a molecular weight of 443.51 g/mol. Its IUPAC name is 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine.

Molecular Properties

Compound Name3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine
PubChem CID171073725
Molecular FormulaC28H21N5O
Molecular Weight443.51 g/mol
Exact Mass443.17
IUPAC Name3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine
SMILESCn1ncc2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(cnn6C)c5)ccc3N4)ccc21
InChIInChI=1S/C28H21N5O/c1-32-25-9-5-17(11-21(25)15-29-32)19-3-7-23-27(13-19)34-28-14-20(4-8-24(28)31-23)18-6-10-26-22(12-18)16-30-33(26)2/h3-16,31H,1-2H3
InChIKeyOJYCCLCWHSMTMQ-UHFFFAOYSA-N
XLogP6.64
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-1-methylindazole
CID 134375389
3-(1-methylindazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117357222
5-(1-methylindazol-5-yl)-1,3-benzothiazole
CID 59283010
5-[5-(2-ethylpyrazol-3-yl)-1H-pyrazol-3-yl]-1-methylindazole
CID 90112137
1,5-dimethylindazole;ethane
CID 90788862
1,7-dimethyl-10H-pyrazolo[3,4-b]phenothiazine
CID 135506168
1-methylindazole-5-carbonitrile
CID 10583041
methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine
CID 142522707
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
3,7-bis(1H-indazol-5-yl)-10H-pyrido[3,2-b][1,4]benzoxazine
CID 177251587
1-methyl-10H-pyrazolo[3,4-b]phenothiazine
CID 135506169
(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 176984719

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine?
The IUPAC name of 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine (CID 171073725) is 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine.
What is the SMILES notation for 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine?
The canonical SMILES for 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine is Cn1ncc2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(cnn6C)c5)ccc3N4)ccc21.
What is the InChIKey of 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine?
The InChIKey is OJYCCLCWHSMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O/c1-32-25-9-5-17(11-21(25)15-29-32)19-3-7-23-27(13-19)34-28-14-20(4-8-24(28)31-23)18-6-10-26-22(12-18)16-30-33(26)2/h3-16,31H,1-2H3.
What are the key properties of 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine?
3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine has a molecular weight of 443.51 g/mol, XLogP of 6.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(1-methylindazol-5-yl)-10H-phenoxazine is sourced from PubChem (CID 171073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).