10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine

C53H30N8O2S — CID 137434135

IUPAC10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1cc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)nc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C53H30N8O2S/c1-5-21-42-32(13-1)48-40(19-9-23-44(48)62-42)60-50-34(15-11-27-54-50)57-52(60)36-29-31(59-38-17-3-7-25-46(38)64-47-26-8-4-18-39(47)59)30-37(56-36)53-58-35-16-12-28-55-51(35)61(53)41-20-10-24-45-49(41)33-14-2-6-22-43(33)63-45/h1-30H
InChIKeyDORMADRUUUQLDS-UHFFFAOYSA-N
MW842.94 g/mol
LogP13.62
Rot. Bonds5

About 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine

10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine (PubChem CID 137434135) has the molecular formula C53H30N8O2S and a molecular weight of 842.94 g/mol. Its IUPAC name is 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine.

Molecular Properties

Compound Name10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine
PubChem CID137434135
Molecular FormulaC53H30N8O2S
Molecular Weight842.94 g/mol
Exact Mass842.22
IUPAC Name10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1cc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)nc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C53H30N8O2S/c1-5-21-42-32(13-1)48-40(19-9-23-44(48)62-42)60-50-34(15-11-27-54-50)57-52(60)36-29-31(59-38-17-3-7-25-46(38)64-47-26-8-4-18-39(47)59)30-37(56-36)53-58-35-16-12-28-55-51(35)61(53)41-20-10-24-45-49(41)33-14-2-6-22-43(33)63-45/h1-30H
InChIKeyDORMADRUUUQLDS-UHFFFAOYSA-N
XLogP13.62
TPSA103.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500842.94
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine?
The IUPAC name of 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine (CID 137434135) is 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine.
What is the SMILES notation for 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine?
The canonical SMILES for 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1cc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)nc(-c2nc3cccnc3n2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine?
The InChIKey is DORMADRUUUQLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N8O2S/c1-5-21-42-32(13-1)48-40(19-9-23-44(48)62-42)60-50-34(15-11-27-54-50)57-52(60)36-29-31(59-38-17-3-7-25-46(38)64-47-26-8-4-18-39(47)59)30-37(56-36)53-58-35-16-12-28-55-51(35)61(53)41-20-10-24-45-49(41)33-14-2-6-22-43(33)63-45/h1-30H.
What are the key properties of 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine?
10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine has a molecular weight of 842.94 g/mol, XLogP of 13.62, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,6-bis(3-dibenzofuran-1-ylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]phenothiazine is sourced from PubChem (CID 137434135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).