10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine

C34H20N6OS2 — CID 10121304

IUPAC10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine
SMILESc1ccc(-c2cnc3c(c2)nc(-c2sc(N4c5ccccc5Oc5ccccc54)c4c2N=S=N4)n3-c2ccccc2)cc1
InChIInChI=1S/C34H20N6OS2/c1-3-11-21(12-4-1)22-19-24-32(35-20-22)39(23-13-5-2-6-14-23)33(36-24)31-29-30(38-43-37-29)34(42-31)40-25-15-7-9-17-27(25)41-28-18-10-8-16-26(28)40/h1-20H
InChIKeyYEIHDNCAZYHIJS-UHFFFAOYSA-N
MW592.71 g/mol
LogP10.12
Rot. Bonds4

About 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine

10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine (PubChem CID 10121304) has the molecular formula C34H20N6OS2 and a molecular weight of 592.71 g/mol. Its IUPAC name is 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine.

Molecular Properties

Compound Name10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine
PubChem CID10121304
Molecular FormulaC34H20N6OS2
Molecular Weight592.71 g/mol
Exact Mass592.11
IUPAC Name10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine
SMILESc1ccc(-c2cnc3c(c2)nc(-c2sc(N4c5ccccc5Oc5ccccc54)c4c2N=S=N4)n3-c2ccccc2)cc1
InChIInChI=1S/C34H20N6OS2/c1-3-11-21(12-4-1)22-19-24-32(35-20-22)39(23-13-5-2-6-14-23)33(36-24)31-29-30(38-43-37-29)34(42-31)40-25-15-7-9-17-27(25)41-28-18-10-8-16-26(28)40/h1-20H
InChIKeyYEIHDNCAZYHIJS-UHFFFAOYSA-N
XLogP10.12
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine?
The IUPAC name of 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine (CID 10121304) is 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine.
What is the SMILES notation for 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine?
The canonical SMILES for 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine is c1ccc(-c2cnc3c(c2)nc(-c2sc(N4c5ccccc5Oc5ccccc54)c4c2N=S=N4)n3-c2ccccc2)cc1.
What is the InChIKey of 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine?
The InChIKey is YEIHDNCAZYHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N6OS2/c1-3-11-21(12-4-1)22-19-24-32(35-20-22)39(23-13-5-2-6-14-23)33(36-24)31-29-30(38-43-37-29)34(42-31)40-25-15-7-9-17-27(25)41-28-18-10-8-16-26(28)40/h1-20H.
What are the key properties of 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine?
10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine has a molecular weight of 592.71 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(3,6-diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine is sourced from PubChem (CID 10121304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).