10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine

C48H28N6O2S2 — CID 129148103

IUPAC10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4s3)cc(-c3nc4cnccc4s3)c2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C48H28N6O2S2/c1-5-13-41-37(9-1)53(38-10-2-6-14-42(38)55-41)33-24-30(25-34(26-33)54-39-11-3-7-15-43(39)56-44-16-8-4-12-40(44)54)29-21-31(47-51-35-27-49-19-17-45(35)57-47)23-32(22-29)48-52-36-28-50-20-18-46(36)58-48/h1-28H
InChIKeyQZKFVNMDDCNRJR-UHFFFAOYSA-N
MW784.93 g/mol
LogP13.85
Rot. Bonds5

About 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 129148103) has the molecular formula C48H28N6O2S2 and a molecular weight of 784.93 g/mol. Its IUPAC name is 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID129148103
Molecular FormulaC48H28N6O2S2
Molecular Weight784.93 g/mol
Exact Mass784.17
IUPAC Name10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4s3)cc(-c3nc4cnccc4s3)c2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C48H28N6O2S2/c1-5-13-41-37(9-1)53(38-10-2-6-14-42(38)55-41)33-24-30(25-34(26-33)54-39-11-3-7-15-43(39)56-44-16-8-4-12-40(44)54)29-21-31(47-51-35-27-49-19-17-45(35)57-47)23-32(22-29)48-52-36-28-50-20-18-46(36)58-48/h1-28H
InChIKeyQZKFVNMDDCNRJR-UHFFFAOYSA-N
XLogP13.85
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.93
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine (CID 129148103) is 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4s3)cc(-c3nc4cnccc4s3)c2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is QZKFVNMDDCNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6O2S2/c1-5-13-41-37(9-1)53(38-10-2-6-14-42(38)55-41)33-24-30(25-34(26-33)54-39-11-3-7-15-43(39)56-44-16-8-4-12-40(44)54)29-21-31(47-51-35-27-49-19-17-45(35)57-47)23-32(22-29)48-52-36-28-50-20-18-46(36)58-48/h1-28H.
What are the key properties of 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 784.93 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3,5-bis([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 129148103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).