2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine

C43H26N4OS — CID 90201689

IUPAC2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4nc(-c5ccc(-n6c7ccccc7c7cc8[nH]c9ccccc9c8cc76)cc5)sc4cc32)cc1
InChIInChI=1S/C43H26N4OS/c1-2-10-27(11-3-1)47-37-16-8-9-17-40(37)48-41-24-35-42(25-39(41)47)49-43(45-35)26-18-20-28(21-19-26)46-36-15-7-5-13-30(36)32-22-34-31(23-38(32)46)29-12-4-6-14-33(29)44-34/h1-25,44H
InChIKeyOUTJLQBSGLXOHN-UHFFFAOYSA-N
MW646.78 g/mol
LogP12.27
Rot. Bonds3

About 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine

2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine (PubChem CID 90201689) has the molecular formula C43H26N4OS and a molecular weight of 646.78 g/mol. Its IUPAC name is 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine.

Molecular Properties

Compound Name2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
PubChem CID90201689
Molecular FormulaC43H26N4OS
Molecular Weight646.78 g/mol
Exact Mass646.18
IUPAC Name2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4nc(-c5ccc(-n6c7ccccc7c7cc8[nH]c9ccccc9c8cc76)cc5)sc4cc32)cc1
InChIInChI=1S/C43H26N4OS/c1-2-10-27(11-3-1)47-37-16-8-9-17-40(37)48-41-24-35-42(25-39(41)47)49-43(45-35)26-18-20-28(21-19-26)46-36-15-7-5-13-30(36)32-22-34-31(23-38(32)46)29-12-4-6-14-33(29)44-34/h1-25,44H
InChIKeyOUTJLQBSGLXOHN-UHFFFAOYSA-N
XLogP12.27
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.78
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
The IUPAC name of 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine (CID 90201689) is 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine.
What is the SMILES notation for 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
The canonical SMILES for 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine is c1ccc(N2c3ccccc3Oc3cc4nc(-c5ccc(-n6c7ccccc7c7cc8[nH]c9ccccc9c8cc76)cc5)sc4cc32)cc1.
What is the InChIKey of 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
The InChIKey is OUTJLQBSGLXOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4OS/c1-2-10-27(11-3-1)47-37-16-8-9-17-40(37)48-41-24-35-42(25-39(41)47)49-43(45-35)26-18-20-28(21-19-26)46-36-15-7-5-13-30(36)32-22-34-31(23-38(32)46)29-12-4-6-14-33(29)44-34/h1-25,44H.
What are the key properties of 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine?
2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine has a molecular weight of 646.78 g/mol, XLogP of 12.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine is sourced from PubChem (CID 90201689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).